2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol

C16H29NO — CID 114339841

IUPAC2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol
SMILESC=C(CC)CN1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H29NO/c1-3-13(2)12-17-11-7-6-9-15(17)14-8-4-5-10-16(14)18/h14-16,18H,2-12H2,1H3
InChIKeyQVHYERCIJDTTHD-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol

2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 114339841) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID114339841
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol
SMILESC=C(CC)CN1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H29NO/c1-3-13(2)12-17-11-7-6-9-15(17)14-8-4-5-10-16(14)18/h14-16,18H,2-12H2,1H3
InChIKeyQVHYERCIJDTTHD-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'}

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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
2,2-Dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol
CID 20501089
2-[[Bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
CID 70135090
1-Ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
CID 123603830
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
6-But-3-enyl-1-(1-prop-2-enylpiperidin-1-ium-1-yl)tridecan-3-ol
CID 174353762
2-(2-Methyl-1-piperidin-1-ylpropyl)cyclohexan-1-ol
CID 3628188
2-[(2,4-Dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol
CID 55094774

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol (CID 114339841) is 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol is C=C(CC)CN1CCCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is QVHYERCIJDTTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-13(2)12-17-11-7-6-9-15(17)14-8-4-5-10-16(14)18/h14-16,18H,2-12H2,1H3.
What are the key properties of 2-[1-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(2-methylidenebutyl)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-(2-methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).