(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane

C19H37NO2 — CID 143885395

IUPAC(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane
SMILESCC1CCC(C(=O)N2CCC(O)CC2)CC1.CCCC(C)C
InChIInChI=1S/C13H23NO2.C6H14/c1-10-2-4-11(5-3-10)13(16)14-8-6-12(15)7-9-14;1-4-5-6(2)3/h10-12,15H,2-9H2,1H3;6H,4-5H2,1-3H3
InChIKeyNDXYHZYDKYKUQB-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.24
Rot. Bonds3

About (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane

(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane (PubChem CID 143885395) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane
PubChem CID143885395
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane
SMILESCC1CCC(C(=O)N2CCC(O)CC2)CC1.CCCC(C)C
InChIInChI=1S/C13H23NO2.C6H14/c1-10-2-4-11(5-3-10)13(16)14-8-6-12(15)7-9-14;1-4-5-6(2)3/h10-12,15H,2-9H2,1H3;6H,4-5H2,1-3H3
InChIKeyNDXYHZYDKYKUQB-UHFFFAOYSA-N
XLogP4.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Ethylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 121516217
[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 155721036
[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
Cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039119
(4-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932317
(4,4-Difluorocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81932354
(4,4-Difluorocyclohexyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103859881
[4-(1-Hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 106834342
4,4-difluoro-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 109869007
(4-Hydroxypiperidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 110895192
(4-Methylcyclohexyl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329156
(4-Hydroxy-3-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 114501377

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane (CID 143885395) is (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane is CC1CCC(C(=O)N2CCC(O)CC2)CC1.CCCC(C)C.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane?
The InChIKey is NDXYHZYDKYKUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C6H14/c1-10-2-4-11(5-3-10)13(16)14-8-6-12(15)7-9-14;1-4-5-6(2)3/h10-12,15H,2-9H2,1H3;6H,4-5H2,1-3H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane?
(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane has a molecular weight of 311.51 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane is sourced from PubChem (CID 143885395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).