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

C8H14FNO — CID 175525631

IUPAC[(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
SMILESCN1CC/C(=C\F)[C@H](CO)C1
InChIInChI=1S/C8H14FNO/c1-10-3-2-7(4-9)8(5-10)6-11/h4,8,11H,2-3,5-6H2,1H3/b7-4+/t8-/m0/s1
InChIKeyHZGWLKJKJIDPNF-IPWDFOCMSA-N
MW159.20 g/mol
LogP0.78
Rot. Bonds1

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

[(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol (PubChem CID 175525631) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is [(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
PubChem CID175525631
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name[(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
SMILESCN1CC/C(=C\F)[C@H](CO)C1
InChIInChI=1S/C8H14FNO/c1-10-3-2-7(4-9)8(5-10)6-11/h4,8,11H,2-3,5-6H2,1H3/b7-4+/t8-/m0/s1
InChIKeyHZGWLKJKJIDPNF-IPWDFOCMSA-N
XLogP0.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.78
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-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol (CID 175525631) is [(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol is CN1CC/C(=C\F)[C@H](CO)C1.
What is the InChIKey of [(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol?
The InChIKey is HZGWLKJKJIDPNF-IPWDFOCMSA-N. The full InChI is InChI=1S/C8H14FNO/c1-10-3-2-7(4-9)8(5-10)6-11/h4,8,11H,2-3,5-6H2,1H3/b7-4+/t8-/m0/s1.
What are the key properties of [(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol?
[(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol has a molecular weight of 159.20 g/mol, XLogP of 0.78, 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-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 175525631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).