1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid

C16H29NO2 — CID 63140989

IUPAC1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-2-9-16(15(18)19)10-6-11-17(13-16)12-14-7-4-3-5-8-14/h14H,2-13H2,1H3,(H,18,19)
InChIKeySVWIYKYYQUVASM-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid

1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63140989) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63140989
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-2-9-16(15(18)19)10-6-11-17(13-16)12-14-7-4-3-5-8-14/h14H,2-13H2,1H3,(H,18,19)
InChIKeySVWIYKYYQUVASM-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

3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid
CID 65068448
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144756
1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069035
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid (CID 63140989) is 1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is SVWIYKYYQUVASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-9-16(15(18)19)10-6-11-17(13-16)12-14-7-4-3-5-8-14/h14H,2-13H2,1H3,(H,18,19).
What are the key properties of 1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid?
1-(cyclohexylmethyl)-3-propylpiperidine-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-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63140989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).