(3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane

C11H25F2NO — CID 166075469

IUPAC(3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane
SMILESCC.CC.CN1CCC(CO)C(F)(F)C1
InChIInChI=1S/C7H13F2NO.2C2H6/c1-10-3-2-6(4-11)7(8,9)5-10;2*1-2/h6,11H,2-5H2,1H3;2*1-2H3
InChIKeyUNPDOBGIBWTTSX-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.62
Rot. Bonds1

About (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane

(3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane (PubChem CID 166075469) has the molecular formula C11H25F2NO and a molecular weight of 225.32 g/mol. Its IUPAC name is (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane.

Molecular Properties

Compound Name(3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane
PubChem CID166075469
Molecular FormulaC11H25F2NO
Molecular Weight225.32 g/mol
Exact Mass225.19
IUPAC Name(3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane
SMILESCC.CC.CN1CCC(CO)C(F)(F)C1
InChIInChI=1S/C7H13F2NO.2C2H6/c1-10-3-2-6(4-11)7(8,9)5-10;2*1-2/h6,11H,2-5H2,1H3;2*1-2H3
InChIKeyUNPDOBGIBWTTSX-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-piperidinemethanol
CID 271971
Piperidinium, 1,1-dimethyl-4-(hydroxymethyl)-, iodide
CID 3025135
1-(1-Ethylpiperidin-4-yl)ethan-1-ol
CID 588327
[1-(Cyclopropylmethyl)piperidin-4-yl]methanol
CID 10035011
(1-Isopropylpiperidin-4-Yl)Methanol
CID 11147855
1-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 13266403
(1-Ethyl-4-piperidinyl)methanol
CID 15512642
(1,4-Dimethylpiperidin-4-yl)methanol
CID 20646825
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanol
CID 52274441
(1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethanol
CID 44368116
1,1,1-Trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 3416712
(1S)-1-(1-methylpiperidin-4-yl)ethan-1-ol hydrochloride
CID 165881233

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane?
The IUPAC name of (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane (CID 166075469) is (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane.
What is the SMILES notation for (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane?
The canonical SMILES for (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane is CC.CC.CN1CCC(CO)C(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane?
The InChIKey is UNPDOBGIBWTTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.2C2H6/c1-10-3-2-6(4-11)7(8,9)5-10;2*1-2/h6,11H,2-5H2,1H3;2*1-2H3.
What are the key properties of (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane?
(3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane has a molecular weight of 225.32 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-methylpiperidin-4-yl)methanol;ethane is sourced from PubChem (CID 166075469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).