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

C10H18FNO — CID 176883337

IUPAC1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol
SMILESCC(O)[C@]1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C10H18FNO/c1-8(13)10(2)7-12(3)5-4-9(10)6-11/h6,8,13H,4-5,7H2,1-3H3/b9-6+/t8?,10-/m0/s1
InChIKeyTZSXWVNJYPCFBE-WTFSHUSUSA-N
MW187.26 g/mol
LogP1.56
Rot. Bonds1

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

1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol (PubChem CID 176883337) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol
PubChem CID176883337
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol
SMILESCC(O)[C@]1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C10H18FNO/c1-8(13)10(2)7-12(3)5-4-9(10)6-11/h6,8,13H,4-5,7H2,1-3H3/b9-6+/t8?,10-/m0/s1
InChIKeyTZSXWVNJYPCFBE-WTFSHUSUSA-N
XLogP1.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol?
The IUPAC name of 1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol (CID 176883337) is 1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol.
What is the SMILES notation for 1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol?
The canonical SMILES for 1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol is CC(O)[C@]1(C)CN(C)CC/C1=C\F.
What is the InChIKey of 1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol?
The InChIKey is TZSXWVNJYPCFBE-WTFSHUSUSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(13)10(2)7-12(3)5-4-9(10)6-11/h6,8,13H,4-5,7H2,1-3H3/b9-6+/t8?,10-/m0/s1.
What are the key properties of 1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol?
1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol has a molecular weight of 187.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol is sourced from PubChem (CID 176883337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).