(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C17H31NO2 — CID 114501545

IUPAC(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CCC(O)C(C)C2)CC1
InChIInChI=1S/C17H31NO2/c1-3-4-5-14-6-8-15(9-7-14)17(20)18-11-10-16(19)13(2)12-18/h13-16,19H,3-12H2,1-2H3
InChIKeyRJTMHMQBDWLLJR-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.21
Rot. Bonds4

About (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114501545) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114501545
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CCC(O)C(C)C2)CC1
InChIInChI=1S/C17H31NO2/c1-3-4-5-14-6-8-15(9-7-14)17(20)18-11-10-16(19)13(2)12-18/h13-16,19H,3-12H2,1-2H3
InChIKeyRJTMHMQBDWLLJR-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone 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

[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 115969502
(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263642
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
(4-butylcyclohexyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585138
[4-(1-aminoethyl)piperidin-1-yl]-(4-butylcyclohexyl)methanone;hydrochloride
CID 119520046
(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937329
methyl 1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylate
CID 108731313
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 90584874
azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 129380965
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639058

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114501545) is (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CCCCC1CCC(C(=O)N2CCC(O)C(C)C2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is RJTMHMQBDWLLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-4-5-14-6-8-15(9-7-14)17(20)18-11-10-16(19)13(2)12-18/h13-16,19H,3-12H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114501545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).