Name: Name:1-Piperidinecarboxylic acid, 4-(3,3,3-trifluoro-2-hydroxypropyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000JMX
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 4-(3,3,3-trifluoro-2-hydroxypropyl)-, 1,1-dimethylethyl ester

CAS No.:

1228631-10-4

Catalog Number:

AG000JMX

Molecular Formula:

C13H22F3NO3

Molecular Weight:

297.3139

Catalog Number:

AG000JMX

Chemical Name:

1-Piperidinecarboxylic acid, 4-(3,3,3-trifluoro-2-hydroxypropyl)-, 1,1-dimethylethyl ester

CAS Number:

1228631-10-4

Molecular Formula:

C13H22F3NO3

Molecular Weight:

297.3139

MDL Number:

MFCD16618527

IUPAC Name:

tert-butyl 4-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-carboxylate

InChI:

InChI=1S/C13H22F3NO3/c1-12(2,3)20-11(19)17-6-4-9(5-7-17)8-10(18)13(14,15)16/h9-10,18H,4-8H2,1-3H3

InChI Key:

YLPPNASJYIAVQZ-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)CC(C(F)(F)F)O)OC(C)(C)C

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.155g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.318g/mol

Monoisotopic Mass:

297.155g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7