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

C13H23F2NO — CID 128699654

IUPAC[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)5-1-11(2-6-13)9-16-7-3-12(10-17)4-8-16/h11-12,17H,1-10H2
InChIKeyRQGUUOMIHQVOEJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.52
Rot. Bonds3

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

[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol (PubChem CID 128699654) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol
PubChem CID128699654
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)5-1-11(2-6-13)9-16-7-3-12(10-17)4-8-16/h11-12,17H,1-10H2
InChIKeyRQGUUOMIHQVOEJ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol (CID 128699654) is [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol is OCC1CCN(CC2CCC(F)(F)CC2)CC1.
What is the InChIKey of [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol?
The InChIKey is RQGUUOMIHQVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)5-1-11(2-6-13)9-16-7-3-12(10-17)4-8-16/h11-12,17H,1-10H2.
What are the key properties of [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol?
[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol has a molecular weight of 247.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 128699654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).