5-(benzylamino)piperidine-2-carboxylic acid

C13H18N2O2 — CID 175512440

IUPAC5-(benzylamino)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccccc2)CN1
InChIInChI=1S/C13H18N2O2/c16-13(17)12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)
InChIKeyANQHBWMQJGJKFK-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds4

About 5-(benzylamino)piperidine-2-carboxylic acid

5-(benzylamino)piperidine-2-carboxylic acid (PubChem CID 175512440) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(benzylamino)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(benzylamino)piperidine-2-carboxylic acid
PubChem CID175512440
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(benzylamino)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCC(NCc2ccccc2)CN1
InChIInChI=1S/C13H18N2O2/c16-13(17)12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)
InChIKeyANQHBWMQJGJKFK-UHFFFAOYSA-N
XLogP0.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate
CID 175512442
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
5-benzamidopiperidine-2-carboxylic acid
CID 66965508
(2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid
CID 175042141
5-phenylmethoxypiperidine-2-carboxylic acid
CID 83646959
(3R,6R)-6-benzhydryl-N-[(4-methoxyphenyl)methyl]piperidin-3-amine;oxalic acid
CID 71457997
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
(3R,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]piperidin-3-amine
CID 10926859
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)piperidine-2-carboxylic acid?
The IUPAC name of 5-(benzylamino)piperidine-2-carboxylic acid (CID 175512440) is 5-(benzylamino)piperidine-2-carboxylic acid.
What is the SMILES notation for 5-(benzylamino)piperidine-2-carboxylic acid?
The canonical SMILES for 5-(benzylamino)piperidine-2-carboxylic acid is O=C(O)C1CCC(NCc2ccccc2)CN1.
What is the InChIKey of 5-(benzylamino)piperidine-2-carboxylic acid?
The InChIKey is ANQHBWMQJGJKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17)12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17).
What are the key properties of 5-(benzylamino)piperidine-2-carboxylic acid?
5-(benzylamino)piperidine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)piperidine-2-carboxylic acid is sourced from PubChem (CID 175512440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).