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

C9H16FNO — CID 171479033

IUPAC[(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
SMILESCN1CC/C(=C/F)[C@](C)(CO)C1
InChIInChI=1S/C9H16FNO/c1-9(7-12)6-11(2)4-3-8(9)5-10/h5,12H,3-4,6-7H2,1-2H3/b8-5-/t9-/m0/s1
InChIKeyZOOMZTMMENBELN-RDOCRHDPSA-N
MW173.23 g/mol
LogP1.17
Rot. Bonds1

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

[(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol (PubChem CID 171479033) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
PubChem CID171479033
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
SMILESCN1CC/C(=C/F)[C@](C)(CO)C1
InChIInChI=1S/C9H16FNO/c1-9(7-12)6-11(2)4-3-8(9)5-10/h5,12H,3-4,6-7H2,1-2H3/b8-5-/t9-/m0/s1
InChIKeyZOOMZTMMENBELN-RDOCRHDPSA-N
XLogP1.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-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

Related Compounds

[1-(2-Fluoroethyl)-3-methylpiperidin-3-yl]methanol
CID 126990205
[(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol
CID 170959092
[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 170959093
[(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol
CID 171478907
[(4E)-3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 171478959
(4-Fluoro-1,3-dimethylpiperidin-3-yl)methanol
CID 171478986
[(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 171479024
[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 171479032
[(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol
CID 171479044
[(3S)-1-ethyl-4-fluoro-3-methylpiperidin-3-yl]methanol
CID 171479068
[(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol
CID 174206365
[(4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208146

Frequently Asked Questions

What is the IUPAC name of [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol (CID 171479033) is [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol is CN1CC/C(=C/F)[C@](C)(CO)C1.
What is the InChIKey of [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
The InChIKey is ZOOMZTMMENBELN-RDOCRHDPSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(7-12)6-11(2)4-3-8(9)5-10/h5,12H,3-4,6-7H2,1-2H3/b8-5-/t9-/m0/s1.
What are the key properties of [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
[(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol has a molecular weight of 173.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol is sourced from PubChem (CID 171479033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).