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

C9H19F2NO — CID 170599366

IUPAC(3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane
SMILESCC.CC1(CO)CCNCC1(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-6(5-11)2-3-10-4-7(6,8)9;1-2/h10-11H,2-5H2,1H3;1-2H3
InChIKeyGUQKALJWGQYXHE-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.64
Rot. Bonds1

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

(3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane (PubChem CID 170599366) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is (3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane.

Molecular Properties

Compound Name(3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane
PubChem CID170599366
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name(3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane
SMILESCC.CC1(CO)CCNCC1(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-6(5-11)2-3-10-4-7(6,8)9;1-2/h10-11H,2-5H2,1H3;1-2H3
InChIKeyGUQKALJWGQYXHE-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Methylpiperidin-4-yl)methanol
CID 22507737
4-Ethyl-4-piperidinemethanol
CID 51072178
(4-Methylpiperidin-4-yl)methanol hydrochloride
CID 66653509
(4-(Methoxymethyl)piperidin-4-yl)methanol
CID 105431270
[4-(Trifluoromethyl)piperidin-4-yl]methanol hydrochloride
CID 132300842
(3,3-Difluoropiperidin-4-yl)methanol hydrochloride
CID 105442904
[4-(Difluoromethyl)piperidin-4-yl]methanol hydrochloride
CID 155859027
(4-Methyl-piperidin-4-yl)-methanol trifluoroacetate
CID 22507736
4-(1-Hydroxy-2,2,2-trifluoroethyl)piperidine
CID 50990581
(1S)-2,2,2-trifluoro-1-piperidin-4-ylethanol
CID 52421254
(1R)-2,2,2-trifluoro-1-piperidin-4-ylethanol
CID 52421256
[4-(Trifluoromethyl)piperidin-4-yl]methanol
CID 53401460

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane?
The IUPAC name of (3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane (CID 170599366) is (3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane.
What is the SMILES notation for (3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane?
The canonical SMILES for (3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane is CC.CC1(CO)CCNCC1(F)F.
What is the InChIKey of (3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane?
The InChIKey is GUQKALJWGQYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.C2H6/c1-6(5-11)2-3-10-4-7(6,8)9;1-2/h10-11H,2-5H2,1H3;1-2H3.
What are the key properties of (3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane?
(3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane has a molecular weight of 195.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-4-methylpiperidin-4-yl)methanol;ethane is sourced from PubChem (CID 170599366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).