[4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol

C8H15F2NO — CID 84767868

IUPAC[4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol
SMILESCN1CCC(CO)(C(F)F)CC1
InChIInChI=1S/C8H15F2NO/c1-11-4-2-8(6-12,3-5-11)7(9)10/h7,12H,2-6H2,1H3
InChIKeyXMTRHUOCLNBXJX-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.96
Rot. Bonds2

About [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol

[4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol (PubChem CID 84767868) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol
PubChem CID84767868
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol
SMILESCN1CCC(CO)(C(F)F)CC1
InChIInChI=1S/C8H15F2NO/c1-11-4-2-8(6-12,3-5-11)7(9)10/h7,12H,2-6H2,1H3
InChIKeyXMTRHUOCLNBXJX-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
[4-(difluoromethyl)thian-4-yl]methanol
CID 84768778
4,4-difluoro-1-methylpiperidine;ethane;ethanol
CID 166533902
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
[4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol
CID 84772749
[4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine
CID 115048851
(1-methyl-4-propan-2-ylpiperidin-4-yl)methanamine
CID 82598285
2-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]ethanol
CID 58284059
[1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclopropyl]methanol
CID 116958357
3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
CID 159839871
4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
CID 83816581
3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane
CID 156707007

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol (CID 84767868) is [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol is CN1CCC(CO)(C(F)F)CC1.
What is the InChIKey of [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol?
The InChIKey is XMTRHUOCLNBXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-4-2-8(6-12,3-5-11)7(9)10/h7,12H,2-6H2,1H3.
What are the key properties of [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol?
[4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol has a molecular weight of 179.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 84767868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).