1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid

C16H22N2O3 — CID 115867427

IUPAC1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Cc2ccccc2CN)C(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-11-6-7-18(14(8-11)16(20)21)15(19)9-12-4-2-3-5-13(12)10-17/h2-5,11,14H,6-10,17H2,1H3,(H,20,21)
InChIKeyWLNQPEAREORPCU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid

1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 115867427) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID115867427
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Cc2ccccc2CN)C(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-11-6-7-18(14(8-11)16(20)21)15(19)9-12-4-2-3-5-13(12)10-17/h2-5,11,14H,6-10,17H2,1H3,(H,20,21)
InChIKeyWLNQPEAREORPCU-UHFFFAOYSA-N
XLogP1.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-aminophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867440
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 114421350
2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 81322086
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400
2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 81322765
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 106892485
1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 167778785
4-methyl-1-[3-(4-methylphenyl)propanoyl]piperidine-2-carboxylic acid
CID 114421761
1-[2-[2-(aminomethyl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 81322694
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid (CID 115867427) is 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)Cc2ccccc2CN)C(C(=O)O)C1.
What is the InChIKey of 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is WLNQPEAREORPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-7-18(14(8-11)16(20)21)15(19)9-12-4-2-3-5-13(12)10-17/h2-5,11,14H,6-10,17H2,1H3,(H,20,21).
What are the key properties of 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 115867427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).