2-amino-2-benzylpiperidine-1-carboxylic acid

C13H18N2O2 — CID 151407806

IUPAC2-amino-2-benzylpiperidine-1-carboxylic acid
SMILESNC1(Cc2ccccc2)CCCCN1C(=O)O
InChIInChI=1S/C13H18N2O2/c14-13(10-11-6-2-1-3-7-11)8-4-5-9-15(13)12(16)17/h1-3,6-7H,4-5,8-10,14H2,(H,16,17)
InChIKeyOXWHEMLXYPKHDM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.05
Rot. Bonds2

About 2-amino-2-benzylpiperidine-1-carboxylic acid

2-amino-2-benzylpiperidine-1-carboxylic acid (PubChem CID 151407806) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-2-benzylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-2-benzylpiperidine-1-carboxylic acid
PubChem CID151407806
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-2-benzylpiperidine-1-carboxylic acid
SMILESNC1(Cc2ccccc2)CCCCN1C(=O)O
InChIInChI=1S/C13H18N2O2/c14-13(10-11-6-2-1-3-7-11)8-4-5-9-15(13)12(16)17/h1-3,6-7H,4-5,8-10,14H2,(H,16,17)
InChIKeyOXWHEMLXYPKHDM-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-benzylpiperidine-1-carboxylic acid?
The IUPAC name of 2-amino-2-benzylpiperidine-1-carboxylic acid (CID 151407806) is 2-amino-2-benzylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-amino-2-benzylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-amino-2-benzylpiperidine-1-carboxylic acid is NC1(Cc2ccccc2)CCCCN1C(=O)O.
What is the InChIKey of 2-amino-2-benzylpiperidine-1-carboxylic acid?
The InChIKey is OXWHEMLXYPKHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(10-11-6-2-1-3-7-11)8-4-5-9-15(13)12(16)17/h1-3,6-7H,4-5,8-10,14H2,(H,16,17).
What are the key properties of 2-amino-2-benzylpiperidine-1-carboxylic acid?
2-amino-2-benzylpiperidine-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-benzylpiperidine-1-carboxylic acid is sourced from PubChem (CID 151407806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).