4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol

C12H21F2NO — CID 116991364

IUPAC4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1CCC(CN2CCCC(F)(F)C2)CC1
InChIInChI=1S/C12H21F2NO/c13-12(14)6-1-7-15(9-12)8-10-2-4-11(16)5-3-10/h10-11,16H,1-9H2
InChIKeyQLUAVNVLRHUJCZ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.27
Rot. Bonds2

About 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol

4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 116991364) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID116991364
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1CCC(CN2CCCC(F)(F)C2)CC1
InChIInChI=1S/C12H21F2NO/c13-12(14)6-1-7-15(9-12)8-10-2-4-11(16)5-3-10/h10-11,16H,1-9H2
InChIKeyQLUAVNVLRHUJCZ-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 89524570
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
1-[(4,4-Difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302767
1,2-Dimethylpiperidin-4-ol;trifluoromethylcyclohexane
CID 155721197
1-[[4-(Difluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 157038897
1-[2-(4,4-Difluorocyclohexyl)ethyl]piperidin-4-ol
CID 157038996
1-(Cyclohexylmethyl)piperidin-4-ol;trifluoromethanol
CID 157039193
2-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 62967739
4-Methyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65530695
2-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65530885

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol (CID 116991364) is 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol is OC1CCC(CN2CCCC(F)(F)C2)CC1.
What is the InChIKey of 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is QLUAVNVLRHUJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-12(14)6-1-7-15(9-12)8-10-2-4-11(16)5-3-10/h10-11,16H,1-9H2.
What are the key properties of 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol?
4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 233.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoropiperidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116991364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).