4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid

C13H18N2O2 — CID 66689619

IUPAC4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid
SMILESN[C@@H](c1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H18N2O2/c14-12(10-4-2-1-3-5-10)11-6-8-15(9-7-11)13(16)17/h1-5,11-12H,6-9,14H2,(H,16,17)/t12-/m0/s1
InChIKeyOIJDBVMBHFIXMC-LBPRGKRZSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds2

About 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid

4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid (PubChem CID 66689619) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid
PubChem CID66689619
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid
SMILESN[C@@H](c1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H18N2O2/c14-12(10-4-2-1-3-5-10)11-6-8-15(9-7-11)13(16)17/h1-5,11-12H,6-9,14H2,(H,16,17)/t12-/m0/s1
InChIKeyOIJDBVMBHFIXMC-LBPRGKRZSA-N
XLogP2.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
cyclohexyl(phenyl)methanamine
CID 11064121
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
4-[(tert-butylsulfinylamino)-phenylmethyl]piperidine-1-carboxylic acid
CID 66689672
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride
CID 171198147

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid (CID 66689619) is 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid is N[C@@H](c1ccccc1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is OIJDBVMBHFIXMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12(10-4-2-1-3-5-10)11-6-8-15(9-7-11)13(16)17/h1-5,11-12H,6-9,14H2,(H,16,17)/t12-/m0/s1.
What are the key properties of 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid?
4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66689619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).