4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid

C13H18N2O2 — CID 22266122

IUPAC4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
SMILESNCc1cccc(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C13H18N2O2/c14-9-10-2-1-3-12(8-10)11-4-6-15(7-5-11)13(16)17/h1-3,8,11H,4-7,9,14H2,(H,16,17)
InChIKeyMCQWELVDXSSVNE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.00
Rot. Bonds2

About 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid

4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid (PubChem CID 22266122) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
PubChem CID22266122
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
SMILESNCc1cccc(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C13H18N2O2/c14-9-10-2-1-3-12(8-10)11-4-6-15(7-5-11)13(16)17/h1-3,8,11H,4-7,9,14H2,(H,16,17)
InChIKeyMCQWELVDXSSVNE-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one
CID 23587223
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-4-phenylbut-3-en-1-one
CID 74066906
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
[4-[2-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-oxoethyl]phenyl]boronic acid
CID 67115113
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 23587180
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid (CID 22266122) is 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid is NCc1cccc(C2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid?
The InChIKey is MCQWELVDXSSVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-9-10-2-1-3-12(8-10)11-4-6-15(7-5-11)13(16)17/h1-3,8,11H,4-7,9,14H2,(H,16,17).
What are the key properties of 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid?
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22266122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).