1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid

C14H25NO2 — CID 64731256

IUPAC1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
SMILESCC1CC(C)CC(N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H25NO2/c1-10-7-11(2)9-13(8-10)15-5-3-12(4-6-15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeySITTUUMSQWLMNE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.61
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid

1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid (PubChem CID 64731256) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
PubChem CID64731256
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
SMILESCC1CC(C)CC(N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H25NO2/c1-10-7-11(2)9-13(8-10)15-5-3-12(4-6-15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeySITTUUMSQWLMNE-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid
CID 51063823
1-(azetidin-3-yl)piperidine-4-carboxylic acid
CID 146155819
1-[4-[4-(3-methylcyclobutyl)piperazin-1-yl]cyclohexyl]ethanone
CID 177358197
1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
CID 65056040
1-(3,5-dimethylcyclohexyl)-N-methylpiperidin-4-amine
CID 64737071
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907170
3-(4-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821304
1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455
1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid
CID 80699258
3-methylcyclobutane-1-carboxylic acid
CID 3044406
(3S)-1-(3,5-dimethylcyclohexyl)pyrrolidin-3-ol
CID 79031190

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid (CID 64731256) is 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid is CC1CC(C)CC(N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid?
The InChIKey is SITTUUMSQWLMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-7-11(2)9-13(8-10)15-5-3-12(4-6-15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid?
1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 64731256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).