1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol

C13H23F2NO — CID 157038897

IUPAC1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCC(C(F)F)CC2)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)11-3-1-10(2-4-11)9-16-7-5-12(17)6-8-16/h10-13,17H,1-9H2
InChIKeyXQOLNSBZGWOMHH-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.51
Rot. Bonds3

About 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol

1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 157038897) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol
PubChem CID157038897
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCC(C(F)F)CC2)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)11-3-1-10(2-4-11)9-16-7-5-12(17)6-8-16/h10-13,17H,1-9H2
InChIKeyXQOLNSBZGWOMHH-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

US12528773, Example 1
CID 157039029
(3S,4R,5R)-1-(((1r,4R)-4-(difluoromethyl)cyclohexyl)methyl)piperidine-3,4,5-triol and (3S,4R,5R)-1-(((1s,4S)-4-(difluoromethyl)cyclohexyl)methyl)piperidine-3,4,5-triol
CID 157039128
(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-[2-(4-Fluorocyclohexyl)ethyl]piperidin-4-ol
CID 140430826
2-Methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302441
2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302491
1-(Cyclohexylmethyl)-2-(fluoromethyl)piperidin-4-ol
CID 155302541
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
2-Methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
CID 155302688
1-[(4,4-Difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302767

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol (CID 157038897) is 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol is OC1CCN(CC2CCC(C(F)F)CC2)CC1.
What is the InChIKey of 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is XQOLNSBZGWOMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)11-3-1-10(2-4-11)9-16-7-5-12(17)6-8-16/h10-13,17H,1-9H2.
What are the key properties of 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 247.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 157038897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).