3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid

C18H21N3O2 — CID 154960189

IUPAC3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid
SMILESNC1CCCN(C(=O)O)C1Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c19-15-9-5-11-21(18(22)23)17(15)12-14-8-4-10-16(20-14)13-6-2-1-3-7-13/h1-4,6-8,10,15,17H,5,9,11-12,19H2,(H,22,23)
InChIKeyLDSQEMIEXYWEMN-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.76
Rot. Bonds3

About 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid

3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid (PubChem CID 154960189) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid
PubChem CID154960189
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid
SMILESNC1CCCN(C(=O)O)C1Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c19-15-9-5-11-21(18(22)23)17(15)12-14-8-4-10-16(20-14)13-6-2-1-3-7-13/h1-4,6-8,10,15,17H,5,9,11-12,19H2,(H,22,23)
InChIKeyLDSQEMIEXYWEMN-UHFFFAOYSA-N
XLogP2.76
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137470952
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137461285
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 137471009
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 137471006
3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242
propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate
CID 137460858
[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471114
cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137470985
methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137470993
benzyl-[(2S,3S)-2-[(6-phenyl-2-pyridinyl)methyl]piperidin-3-yl]carbamic acid
CID 174109707
2-phenyl-6-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863623
1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 141043533

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid (CID 154960189) is 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid is NC1CCCN(C(=O)O)C1Cc1cccc(-c2ccccc2)n1.
What is the InChIKey of 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is LDSQEMIEXYWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-15-9-5-11-21(18(22)23)17(15)12-14-8-4-10-16(20-14)13-6-2-1-3-7-13/h1-4,6-8,10,15,17H,5,9,11-12,19H2,(H,22,23).
What are the key properties of 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid?
3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 154960189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).