[4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol

C9H17F2NO — CID 84772749

IUPAC[4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol
SMILESCN1CCC(CO)(C(C)(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-8(10,11)9(7-13)3-5-12(2)6-4-9/h13H,3-7H2,1-2H3
InChIKeyQGGRMVVHBNDHDC-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.35
Rot. Bonds2

About [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol

[4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol (PubChem CID 84772749) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol
PubChem CID84772749
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol
SMILESCN1CCC(CO)(C(C)(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-8(10,11)9(7-13)3-5-12(2)6-4-9/h13H,3-7H2,1-2H3
InChIKeyQGGRMVVHBNDHDC-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(1-Butylpiperidin-4-yl)methanol
CID 10241250
[1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol
CID 164640925
(1,1-Dimethylpiperidin-1-ium-4-yl)methanol
CID 3025136
(4-Fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
[1-(2-Fluoroethyl)piperidin-4-yl]methanol
CID 55275930
2,2,2-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 60046634
[1-(2,2-Difluoroethyl)piperidin-4-yl]methanol
CID 62020075
[1-(3,3,3-Trifluoropropyl)piperidin-4-yl]methanol
CID 64567594
(1-Tert-butyl-4-fluoropiperidin-4-yl)methanol
CID 66764643

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol?
The IUPAC name of [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol (CID 84772749) is [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol is CN1CCC(CO)(C(C)(F)F)CC1.
What is the InChIKey of [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol?
The InChIKey is QGGRMVVHBNDHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(10,11)9(7-13)3-5-12(2)6-4-9/h13H,3-7H2,1-2H3.
What are the key properties of [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol?
[4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol has a molecular weight of 193.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-difluoroethyl)-1-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 84772749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).