Name: Name:2-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}methyl)benzoic acid
Brand: Angene
SKU: AG01BBSP
Rating: 90 (10 reviews)

2-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}methyl)benzoic acid

CAS No.:

910442-78-3

Catalog Number:

AG01BBSP

Molecular Formula:

C18H25NO4

Molecular Weight:

319.3954

Catalog Number:

AG01BBSP

Chemical Name:

2-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}methyl)benzoic acid

CAS Number:

910442-78-3

Molecular Formula:

C18H25NO4

Molecular Weight:

319.3954

MDL Number:

MFCD08460899

IUPAC Name:

2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]benzoic acid

InChI:

InChI=1S/C18H25NO4/c1-18(2,3)23-17(22)19-10-8-13(9-11-19)12-14-6-4-5-7-15(14)16(20)21/h4-7,13H,8-12H2,1-3H3,(H,20,21)

InChI Key:

PXNRVRXPLIHZEN-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)Cc1ccccc1C(=O)O)OC(C)(C)C

Complexity:

421

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

319.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

319.401g/mol

Monoisotopic Mass:

319.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3