1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid

C16H29NO2 — CID 65069035

IUPAC1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C2CCCCC2C)C1
InChIInChI=1S/C16H29NO2/c1-3-9-16(15(18)19)10-6-11-17(12-16)14-8-5-4-7-13(14)2/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyCOCFFOMTGCPQSX-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds4

About 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid

1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 65069035) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID65069035
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C2CCCCC2C)C1
InChIInChI=1S/C16H29NO2/c1-3-9-16(15(18)19)10-6-11-17(12-16)14-8-5-4-7-13(14)2/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyCOCFFOMTGCPQSX-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3-methyloxan-4-yl)-3-propylpiperidine-3-carboxylic acid
CID 114240734
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165781
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068564
1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65068501
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777
1-(3-methylpiperidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107068166

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid (CID 65069035) is 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C2CCCCC2C)C1.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is COCFFOMTGCPQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-9-16(15(18)19)10-6-11-17(12-16)14-8-5-4-7-13(14)2/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid?
1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65069035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).