[4-(2,2-difluoroethyl)piperidin-4-yl]methanol

C8H15F2NO — CID 146082411

IUPAC[4-(2,2-difluoroethyl)piperidin-4-yl]methanol
SMILESOCC1(CC(F)F)CCNCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)5-8(6-12)1-3-11-4-2-8/h7,11-12H,1-6H2
InChIKeySCMNGUQXWYCOSE-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.00
Rot. Bonds3

About [4-(2,2-difluoroethyl)piperidin-4-yl]methanol

[4-(2,2-difluoroethyl)piperidin-4-yl]methanol (PubChem CID 146082411) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [4-(2,2-difluoroethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,2-difluoroethyl)piperidin-4-yl]methanol
PubChem CID146082411
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[4-(2,2-difluoroethyl)piperidin-4-yl]methanol
SMILESOCC1(CC(F)F)CCNCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)5-8(6-12)1-3-11-4-2-8/h7,11-12H,1-6H2
InChIKeySCMNGUQXWYCOSE-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride
CID 146082410
[4-(aminooxymethyl)piperidin-4-yl]methanol
CID 105431439
(4-methylpiperidin-4-yl)methanol
CID 22507737
[4-(methoxymethyl)piperidin-4-yl]methanol;hydrochloride
CID 126569824
4,4-bis(fluoromethyl)piperidine
CID 153409538
[4-(cyclopentylmethyl)piperidin-4-yl]methanol
CID 66025861
[4-(ethoxymethyl)piperidin-4-yl]methanol
CID 103984986
4-(2,2-difluoroethyl)azepan-4-amine
CID 115015148
[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol
CID 106734295
methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate
CID 105442614
4-(2,2-difluoroethoxy)-4-methylpiperidine
CID 130599539
2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate
CID 174966990

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-(2,2-difluoroethyl)piperidin-4-yl]methanol (CID 146082411) is [4-(2,2-difluoroethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(2,2-difluoroethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(2,2-difluoroethyl)piperidin-4-yl]methanol is OCC1(CC(F)F)CCNCC1.
What is the InChIKey of [4-(2,2-difluoroethyl)piperidin-4-yl]methanol?
The InChIKey is SCMNGUQXWYCOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-7(10)5-8(6-12)1-3-11-4-2-8/h7,11-12H,1-6H2.
What are the key properties of [4-(2,2-difluoroethyl)piperidin-4-yl]methanol?
[4-(2,2-difluoroethyl)piperidin-4-yl]methanol has a molecular weight of 179.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 146082411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).