[1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol

C13H23F2NO — CID 114225039

IUPAC[1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)6-3-4-11(8-13)9-16-7-2-1-5-12(16)10-17/h11-12,17H,1-10H2
InChIKeyXGPNAKCDENQTDQ-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.66
Rot. Bonds3

About [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol

[1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol (PubChem CID 114225039) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol
PubChem CID114225039
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name[1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)6-3-4-11(8-13)9-16-7-2-1-5-12(16)10-17/h11-12,17H,1-10H2
InChIKeyXGPNAKCDENQTDQ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-Methylcyclohexyl)methyl]piperidin-2-yl]ethanol
CID 75496940
2-[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]ethanol
CID 62357831
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
[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol
CID 138624277
2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol
CID 153592566
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
1-[(4,4-Difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302767
2-Methyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302769
1,2-Dimethylpiperidin-4-ol;trifluoromethylcyclohexane
CID 155721197
2-(Hydroxymethyl)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
CID 157039445
2-(Hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 157039626

Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol (CID 114225039) is [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol is OCC1CCCCN1CC1CCCC(F)(F)C1.
What is the InChIKey of [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol?
The InChIKey is XGPNAKCDENQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)6-3-4-11(8-13)9-16-7-2-1-5-12(16)10-17/h11-12,17H,1-10H2.
What are the key properties of [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol?
[1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol has a molecular weight of 247.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-difluorocyclohexyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 114225039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).