1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid

C16H23NO2 — CID 4681970

IUPAC1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1ccccc1C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-3-15(14-7-5-4-6-12(14)2)17-10-8-13(9-11-17)16(18)19/h4-7,13,15H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyIDRQGFQDAOMRCB-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.24
Rot. Bonds4

About 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid

1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid (PubChem CID 4681970) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
PubChem CID4681970
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1ccccc1C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-3-15(14-7-5-4-6-12(14)2)17-10-8-13(9-11-17)16(18)19/h4-7,13,15H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyIDRQGFQDAOMRCB-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3572027
1-[(3,4-diethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4539522
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid
CID 67624418
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4019790
1-[[3-methyl-1-(2-methylphenyl)butyl]carbamoyl]piperidine-4-carboxylic acid
CID 122001930
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid (CID 4681970) is 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid is CCC(c1ccccc1C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid?
The InChIKey is IDRQGFQDAOMRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-15(14-7-5-4-6-12(14)2)17-10-8-13(9-11-17)16(18)19/h4-7,13,15H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid?
1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid has a molecular weight of 261.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4681970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).