[(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol

C9H15F2NO — CID 171479024

IUPAC[(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
SMILESCN1CCC(=C(F)F)[C@](C)(CO)C1
InChIInChI=1S/C9H15F2NO/c1-9(6-13)5-12(2)4-3-7(9)8(10)11/h13H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyZMENKVZSCIFWRP-VIFPVBQESA-N
MW191.22 g/mol
LogP1.47
Rot. Bonds1

About [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol

[(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol (PubChem CID 171479024) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
PubChem CID171479024
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name[(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
SMILESCN1CCC(=C(F)F)[C@](C)(CO)C1
InChIInChI=1S/C9H15F2NO/c1-9(6-13)5-12(2)4-3-7(9)8(10)11/h13H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyZMENKVZSCIFWRP-VIFPVBQESA-N
XLogP1.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol (CID 171479024) is [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol is CN1CCC(=C(F)F)[C@](C)(CO)C1.
What is the InChIKey of [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
The InChIKey is ZMENKVZSCIFWRP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15F2NO/c1-9(6-13)5-12(2)4-3-7(9)8(10)11/h13H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
[(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol has a molecular weight of 191.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol is sourced from PubChem (CID 171479024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).