3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid

C14H20N2O2 — CID 117011828

IUPAC3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCCN(CCc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-14(13(17)18)8-4-9-16(11-14)10-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,17,18)
InChIKeyUCGXFAZZSQFAES-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds4

About 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid

3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid (PubChem CID 117011828) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
PubChem CID117011828
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCCN(CCc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-14(13(17)18)8-4-9-16(11-14)10-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,17,18)
InChIKeyUCGXFAZZSQFAES-UHFFFAOYSA-N
XLogP1.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
(4aS,8aR)-1-(2-aminoethyl)-6-(2-phenylethyl)-3,4,5,7,8,8a-hexahydro-2H-1,6-naphthyridine-4a-carboxylic acid
CID 56886642
3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid
CID 139615841
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 154915709

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid (CID 117011828) is 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid is NC1(C(=O)O)CCCN(CCc2ccccc2)C1.
What is the InChIKey of 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid?
The InChIKey is UCGXFAZZSQFAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(13(17)18)8-4-9-16(11-14)10-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,17,18).
What are the key properties of 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid?
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117011828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).