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

C17H25NO2 — CID 65065296

IUPAC4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1ccc(C)cc1)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C17H25NO2/c1-4-15(14-7-5-13(2)6-8-14)18-11-9-17(3,10-12-18)16(19)20/h5-8,15H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyNQQNNQJGEUGFHL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.63
Rot. Bonds4

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

4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid (PubChem CID 65065296) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid
PubChem CID65065296
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1ccc(C)cc1)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C17H25NO2/c1-4-15(14-7-5-13(2)6-8-14)18-11-9-17(3,10-12-18)16(19)20/h5-8,15H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyNQQNNQJGEUGFHL-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65065150
1-[1-(furan-2-yl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65064562
2-[1-[1-(4-methylphenyl)propyl]azetidin-3-yl]acetic acid
CID 65069237
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 79008198
1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317853
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 65064069
1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355396
1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064663
3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 63161254

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid (CID 65065296) is 4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid is CCC(c1ccc(C)cc1)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid?
The InChIKey is NQQNNQJGEUGFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-15(14-7-5-13(2)6-8-14)18-11-9-17(3,10-12-18)16(19)20/h5-8,15H,4,9-12H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid?
4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65065296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).