2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol

C16H29NO — CID 114478099

IUPAC2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol
SMILESC=C(C)CCN1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H29NO/c1-13(2)10-12-17-11-6-5-8-15(17)14-7-3-4-9-16(14)18/h14-16,18H,1,3-12H2,2H3
InChIKeyAELNSGCBGJBYLQ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol

2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 114478099) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID114478099
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol
SMILESC=C(C)CCN1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H29NO/c1-13(2)10-12-17-11-6-5-8-15(17)14-7-3-4-9-16(14)18/h14-16,18H,1,3-12H2,2H3
InChIKeyAELNSGCBGJBYLQ-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol 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

2-Ethyl-2,3-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol
CID 20270965
2,2-Dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol
CID 20501085
2-[(Dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
CID 70119011
1-Ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
CID 123603830
2,2-Dimethyl-1-(3-methylbuta-1,3-dienyl)-1-azaspiro[5.5]undecan-4-ol
CID 140334066
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
2-(Hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 157039573
[(2S)-1-[(4-prop-1-en-2-ylcyclohexyl)methyl]piperidin-2-yl]methanol
CID 169926750
2-(2-Methyl-1-piperidin-1-ylpropyl)cyclohexan-1-ol
CID 3628188
4-Ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 55094573
2-[(2,4-Dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol
CID 55094774

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol (CID 114478099) is 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol is C=C(C)CCN1CCCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is AELNSGCBGJBYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)10-12-17-11-6-5-8-15(17)14-7-3-4-9-16(14)18/h14-16,18H,1,3-12H2,2H3.
What are the key properties of 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114478099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).