4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

C15H27NO3 — CID 106498528

IUPAC4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCC1CCN(CC2(O)CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-12-5-9-16(10-6-12)11-15(19)7-3-13(4-8-15)14(17)18/h12-13,19H,2-11H2,1H3,(H,17,18)
InChIKeyNHPQJFYNUZEJCQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.11
Rot. Bonds4

About 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106498528) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106498528
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCC1CCN(CC2(O)CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-12-5-9-16(10-6-12)11-15(19)7-3-13(4-8-15)14(17)18/h12-13,19H,2-11H2,1H3,(H,17,18)
InChIKeyNHPQJFYNUZEJCQ-UHFFFAOYSA-N
XLogP2.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 106498407
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498556
1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
CID 65213026
4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 106498493
ethyl 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106498847
4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106670155
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
4-(ethylsulfonylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498315
ethyl 4-hydroxy-4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate
CID 106498884
ethyl 4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]cyclohexane-1-carboxylate
CID 106498365
4-hydroxy-4-(propylsulfinylmethyl)cyclohexane-1-carboxylic acid
CID 106499926

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106498528) is 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is CCC1CCN(CC2(O)CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is NHPQJFYNUZEJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-12-5-9-16(10-6-12)11-15(19)7-3-13(4-8-15)14(17)18/h12-13,19H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).