1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid

C14H25NO2 — CID 114994693

IUPAC1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCCN1C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-12-8-4-7-11-15(12)14(13(16)17)9-5-3-6-10-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyZCLYSNMJVJBPHM-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.04
Rot. Bonds3

About 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid

1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 114994693) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID114994693
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCCN1C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-12-8-4-7-11-15(12)14(13(16)17)9-5-3-6-10-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyZCLYSNMJVJBPHM-UHFFFAOYSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid
CID 82235017
4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114994673
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
CID 104689647
[4-(2-ethylazepan-1-yl)thian-4-yl]methanamine
CID 104689235
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598446
2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382
[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine
CID 104689369
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 126431473
1-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 121499450

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 114994693) is 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is CCC1CCCCN1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is ZCLYSNMJVJBPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-12-8-4-7-11-15(12)14(13(16)17)9-5-3-6-10-14/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114994693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).