3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid

C15H27NO2 — CID 64747777

IUPAC3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C2CCC(C)CC2)C1
InChIInChI=1S/C15H27NO2/c1-3-15(14(17)18)9-4-10-16(11-15)13-7-5-12(2)6-8-13/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyNQYMZHSVWZGZAH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds3

About 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid

3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid (PubChem CID 64747777) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
PubChem CID64747777
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C2CCC(C)CC2)C1
InChIInChI=1S/C15H27NO2/c1-3-15(14(17)18)9-4-10-16(11-15)13-7-5-12(2)6-8-13/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyNQYMZHSVWZGZAH-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 63936052
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
1-(2,4-dimethylcyclohexyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064235
1-(1,1-dioxothian-3-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064274
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333
1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069035
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65068501
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid (CID 64747777) is 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C2CCC(C)CC2)C1.
What is the InChIKey of 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid?
The InChIKey is NQYMZHSVWZGZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-15(14(17)18)9-4-10-16(11-15)13-7-5-12(2)6-8-13/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid?
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 64747777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).