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

C18H33NO — CID 155721116

IUPAC2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
SMILESC=C1CC(C)CC(CCCCN2CCC(O)CC2C)C1
InChIInChI=1S/C18H33NO/c1-14-10-15(2)12-17(11-14)6-4-5-8-19-9-7-18(20)13-16(19)3/h15-18,20H,1,4-13H2,2-3H3
InChIKeyXZDMAPSANWGXDJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.99
Rot. Bonds5

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

2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol (PubChem CID 155721116) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
PubChem CID155721116
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
SMILESC=C1CC(C)CC(CCCCN2CCC(O)CC2C)C1
InChIInChI=1S/C18H33NO/c1-14-10-15(2)12-17(11-14)6-4-5-8-19-9-7-18(20)13-16(19)3/h15-18,20H,1,4-13H2,2-3H3
InChIKeyXZDMAPSANWGXDJ-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2,2,6,6-Tetramethyl-1-undec-10-enylpiperidin-4-ol
CID 54476832
1-Ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
CID 123603830
1-[(4-Ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302649
1-[4-(3-Methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 157039266
2-(Hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 157039573
(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
1-[[4-[(4-Propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol
CID 175622917
2-(1-Hept-6-enylpiperidin-2-yl)cyclohexan-1-ol
CID 107011019
2-(1-Pent-4-enylpiperidin-2-yl)cyclohexan-1-ol
CID 113569316
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-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
The IUPAC name of 2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol (CID 155721116) is 2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol.
What is the SMILES notation for 2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
The canonical SMILES for 2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol is C=C1CC(C)CC(CCCCN2CCC(O)CC2C)C1.
What is the InChIKey of 2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
The InChIKey is XZDMAPSANWGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14-10-15(2)12-17(11-14)6-4-5-8-19-9-7-18(20)13-16(19)3/h15-18,20H,1,4-13H2,2-3H3.
What are the key properties of 2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol has a molecular weight of 279.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol is sourced from PubChem (CID 155721116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).