2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol

C18H33NO2 — CID 157039573

IUPAC2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
SMILESC=C1CC(C)CC(CCCCN2CCC(O)CC2CO)C1
InChIInChI=1S/C18H33NO2/c1-14-9-15(2)11-16(10-14)5-3-4-7-19-8-6-18(21)12-17(19)13-20/h15-18,20-21H,1,3-13H2,2H3
InChIKeyKQDARANVNNWJNO-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.97
Rot. Bonds6

About 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol

2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol (PubChem CID 157039573) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
PubChem CID157039573
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
SMILESC=C1CC(C)CC(CCCCN2CCC(O)CC2CO)C1
InChIInChI=1S/C18H33NO2/c1-14-9-15(2)11-16(10-14)5-3-4-7-19-8-6-18(21)12-17(19)13-20/h15-18,20-21H,1,3-13H2,2H3
InChIKeyKQDARANVNNWJNO-UHFFFAOYSA-N
XLogP2.97
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(Hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol
CID 143567049
2-Methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 155721116
1-[4-(3-Methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 157039266
1-[(4-Ethenylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039421
(3S,6R)-6-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidine-3,4-diol
CID 157039808
[(2S)-1-[(4-prop-1-en-2-ylcyclohexyl)methyl]piperidin-2-yl]methanol
CID 169926750
2-(1-Hept-6-enylpiperidin-2-yl)cyclohexan-1-ol
CID 107011019
2-[1-(2-Methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339841
2-[1-(3-Methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol
CID 114478099

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol (CID 157039573) is 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol is C=C1CC(C)CC(CCCCN2CCC(O)CC2CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
The InChIKey is KQDARANVNNWJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-14-9-15(2)11-16(10-14)5-3-4-7-19-8-6-18(21)12-17(19)13-20/h15-18,20-21H,1,3-13H2,2H3.
What are the key properties of 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol has a molecular weight of 295.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol is sourced from PubChem (CID 157039573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).