2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid

C15H22N2O2 — CID 82624230

IUPAC2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid
SMILESCC(N)(C(=O)O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(16,14(18)19)13-8-5-9-17(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,18,19)
InChIKeyNHIZJFQFYZBYJS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds4

About 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid

2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid (PubChem CID 82624230) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid
PubChem CID82624230
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid
SMILESCC(N)(C(=O)O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(16,14(18)19)13-8-5-9-17(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,18,19)
InChIKeyNHIZJFQFYZBYJS-UHFFFAOYSA-N
XLogP1.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982590
2-[[(3S)-1-benzylpiperidin-3-yl]methyl]-2-hydroxypropanedioic acid
CID 174346331
2-[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199311
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 106819036
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
1-benzyl-3-methylpiperidine
CID 2794856
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid?
The IUPAC name of 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid (CID 82624230) is 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid?
The canonical SMILES for 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid is CC(N)(C(=O)O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid?
The InChIKey is NHIZJFQFYZBYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(16,14(18)19)13-8-5-9-17(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid?
2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid is sourced from PubChem (CID 82624230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).