[(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol

C10H17F2NO — CID 171478907

IUPAC[(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol
SMILESCCN1CCC(=C(F)F)[C@](C)(CO)C1
InChIInChI=1S/C10H17F2NO/c1-3-13-5-4-8(9(11)12)10(2,6-13)7-14/h14H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyQRPPGZKMTBEHDJ-JTQLQIEISA-N
MW205.25 g/mol
LogP1.86
Rot. Bonds2

About [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol

[(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol (PubChem CID 171478907) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol
PubChem CID171478907
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name[(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol
SMILESCCN1CCC(=C(F)F)[C@](C)(CO)C1
InChIInChI=1S/C10H17F2NO/c1-3-13-5-4-8(9(11)12)10(2,6-13)7-14/h14H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyQRPPGZKMTBEHDJ-JTQLQIEISA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol (CID 171478907) is [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol is CCN1CCC(=C(F)F)[C@](C)(CO)C1.
What is the InChIKey of [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol?
The InChIKey is QRPPGZKMTBEHDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17F2NO/c1-3-13-5-4-8(9(11)12)10(2,6-13)7-14/h14H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol?
[(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol has a molecular weight of 205.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 171478907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).