Name: Name:1-tert-butyl 4-ethyl 4-(prop-2-yn-1-yl)piperidine-1,4-dicarboxylate
Brand: Angene
SKU: AG01EMQL
Rating: 90 (10 reviews)

1-tert-butyl 4-ethyl 4-(prop-2-yn-1-yl)piperidine-1,4-dicarboxylate

CAS No.:

2022370-40-5

Catalog Number:

AG01EMQL

Molecular Formula:

C16H25NO4

Molecular Weight:

295.3740

Catalog Number:

AG01EMQL

Chemical Name:

1-tert-butyl 4-ethyl 4-(prop-2-yn-1-yl)piperidine-1,4-dicarboxylate

CAS Number:

2022370-40-5

Molecular Formula:

C16H25NO4

Molecular Weight:

295.3740

MDL Number:

MFCD31666518

IUPAC Name:

1-O-tert-butyl 4-O-ethyl 4-prop-2-ynylpiperidine-1,4-dicarboxylate

InChI:

InChI=1S/C16H25NO4/c1-6-8-16(13(18)20-7-2)9-11-17(12-10-16)14(19)21-15(3,4)5/h1H,7-12H2,2-5H3

InChI Key:

QJYHJRUANMHGCG-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1(CC#C)CCN(CC1)C(=O)OC(C)(C)C

Complexity:

433

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.379g/mol

Monoisotopic Mass:

295.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2