4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid

C15H27NO2 — CID 65082997

IUPAC4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
SMILESCC1CCCC(N2CCC(C)(C(=O)O)CC2)CC1
InChIInChI=1S/C15H27NO2/c1-12-4-3-5-13(7-6-12)16-10-8-15(2,9-11-16)14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyDTIDEMHESANHGX-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds2

About 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid

4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid (PubChem CID 65082997) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
PubChem CID65082997
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
SMILESCC1CCCC(N2CCC(C)(C(=O)O)CC2)CC1
InChIInChI=1S/C15H27NO2/c1-12-4-3-5-13(7-6-12)16-10-8-15(2,9-11-16)14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyDTIDEMHESANHGX-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(4-methylcyclohexyl)piperidine
CID 20761841
4-methyl-1-(4-methylcyclohexyl)azepan-4-ol
CID 107408054
4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
CID 65064613
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid
CID 115039380
1-(2,2-dimethylcyclopentyl)-4-methylpiperidine-4-carboxylic acid
CID 79863319
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
4-[(1S,4S)-4-methylcycloheptyl]morpholine
CID 143263488
4,4-difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid (CID 65082997) is 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid is CC1CCCC(N2CCC(C)(C(=O)O)CC2)CC1.
What is the InChIKey of 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid?
The InChIKey is DTIDEMHESANHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-4-3-5-13(7-6-12)16-10-8-15(2,9-11-16)14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid?
4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65082997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).