2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol

C9H17F2NO — CID 123606698

IUPAC2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCN(C(O)C(C)(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-7-3-5-12(6-4-7)8(13)9(2,10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyPRTPNBUGHLXKML-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.69
Rot. Bonds2

About 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol

2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol (PubChem CID 123606698) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol
PubChem CID123606698
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCN(C(O)C(C)(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-7-3-5-12(6-4-7)8(13)9(2,10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyPRTPNBUGHLXKML-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidinium, 1,1-dimethyl-4-(hydroxymethyl)-, iodide
CID 3025135
(1-Ethyl-4-piperidinyl)methanol
CID 15512642
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanol
CID 52274441
1,1,1-Trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 3416712
(1-Butylpiperidin-4-yl)methanol
CID 10241250
(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 1482207
2-(3-{[Methyl(3,3,3-trifluoropropyl)amino]methyl}piperidin-1-YL)ethanol
CID 56709394
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
(1,1-Dimethylpiperidin-1-ium-4-yl)methanol
CID 3025136
2-(4-(Trifluoromethyl)piperidin-1-yl)ethan-1-ol
CID 17986194
[1-Pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol
CID 19014398
[1-(2-Fluoroethyl)piperidin-4-yl]methanol
CID 55275930

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol (CID 123606698) is 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol is CC1CCN(C(O)C(C)(F)F)CC1.
What is the InChIKey of 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is PRTPNBUGHLXKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7-3-5-12(6-4-7)8(13)9(2,10)11/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol?
2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 123606698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).