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

C9H16FNO — CID 170959093

IUPAC[(3S,4E)-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-QRJSTWQJSA-N
MW173.23 g/mol
LogP1.17
Rot. Bonds1

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

[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol (PubChem CID 170959093) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
PubChem CID170959093
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[(3S,4E)-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-QRJSTWQJSA-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

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Frequently Asked Questions

What is the IUPAC name of [(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol (CID 170959093) is [(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol is CN1CC/C(=C\F)[C@](C)(CO)C1.
What is the InChIKey of [(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
The InChIKey is ZOOMZTMMENBELN-QRJSTWQJSA-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,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol?
[(3S,4E)-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,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol is sourced from PubChem (CID 170959093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).