3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid

C14H19ClN2O2 — CID 141133176

IUPAC3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid
SMILESNC(Cc1cccc(Cl)c1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C14H19ClN2O2/c15-12-5-1-3-10(7-12)8-13(16)11-4-2-6-17(9-11)14(18)19/h1,3,5,7,11,13H,2,4,6,8-9,16H2,(H,18,19)
InChIKeyXHTKXVBZWSJQAW-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.60
Rot. Bonds3

About 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid

3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid (PubChem CID 141133176) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid
PubChem CID141133176
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid
SMILESNC(Cc1cccc(Cl)c1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C14H19ClN2O2/c15-12-5-1-3-10(7-12)8-13(16)11-4-2-6-17(9-11)14(18)19/h1,3,5,7,11,13H,2,4,6,8-9,16H2,(H,18,19)
InChIKeyXHTKXVBZWSJQAW-UHFFFAOYSA-N
XLogP2.60
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 11631457
[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[3-[amino(methyl)amino]phenyl]methanone
CID 143151214
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone;hydrochloride
CID 119593293
(3R)-3-[(R)-2-azidoethoxy-(3-chlorophenyl)methyl]piperidine-1-carboxylic acid
CID 141201727
[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 59009387
[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;formic acid
CID 161030280
1-[2-[[3-(3-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534178
2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;2,2-difluoropropanoic acid;2,2,2-trifluoroacetic acid
CID 143151118
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
CID 154904649
[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
CID 143151156
3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one
CID 143059775

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid (CID 141133176) is 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid is NC(Cc1cccc(Cl)c1)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid?
The InChIKey is XHTKXVBZWSJQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-5-1-3-10(7-12)8-13(16)11-4-2-6-17(9-11)14(18)19/h1,3,5,7,11,13H,2,4,6,8-9,16H2,(H,18,19).
What are the key properties of 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid?
3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141133176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).