1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid

C16H29NO2 — CID 122084212

IUPAC1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1CCCC1CCCCC1
InChIInChI=1S/C16H29NO2/c1-13-9-10-15(16(18)19)12-17(13)11-5-8-14-6-3-2-4-7-14/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyRYKSGFRVCDTRNX-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds5

About 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid

1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122084212) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122084212
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1CCCC1CCCCC1
InChIInChI=1S/C16H29NO2/c1-13-9-10-15(16(18)19)12-17(13)11-5-8-14-6-3-2-4-7-14/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyRYKSGFRVCDTRNX-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 130901537
6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084191
6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084180
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
6-methyl-1-(3-pyrrolidin-2-ylpropyl)piperidine-3-carboxamide
CID 55076612
4-propylcyclononane-1-carboxylic acid
CID 123911377
1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084060
6-methyl-1-pent-4-ynylpiperidine-3-carboxamide
CID 115873029
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958
1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742115
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid (CID 122084212) is 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1CCCC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is RYKSGFRVCDTRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-9-10-15(16(18)19)12-17(13)11-5-8-14-6-3-2-4-7-14/h13-15H,2-12H2,1H3,(H,18,19).
What are the key properties of 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid?
1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122084212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).