[(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol

C13H23F2NO — CID 166236628

IUPAC[(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)6-4-11(5-7-13)9-16-8-2-1-3-12(16)10-17/h11-12,17H,1-10H2/t12-/m1/s1
InChIKeySLIMHPTUMZJNPS-GFCCVEGCSA-N
MW247.33 g/mol
LogP2.66
Rot. Bonds3

About [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol

[(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol (PubChem CID 166236628) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol
PubChem CID166236628
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name[(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)6-4-11(5-7-13)9-16-8-2-1-3-12(16)10-17/h11-12,17H,1-10H2/t12-/m1/s1
InChIKeySLIMHPTUMZJNPS-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol (CID 166236628) is [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1CC1CCC(F)(F)CC1.
What is the InChIKey of [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol?
The InChIKey is SLIMHPTUMZJNPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)6-4-11(5-7-13)9-16-8-2-1-3-12(16)10-17/h11-12,17H,1-10H2/t12-/m1/s1.
What are the key properties of [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol?
[(2R)-1-[(4,4-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 [(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 166236628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).