[(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol

C9H16FNO — CID 177009915

IUPAC[(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol
SMILESCCN1CC/C(=C\F)C(CO)C1
InChIInChI=1S/C9H16FNO/c1-2-11-4-3-8(5-10)9(6-11)7-12/h5,9,12H,2-4,6-7H2,1H3/b8-5+
InChIKeyGLCWZEMGYZZTLD-VMPITWQZSA-N
MW173.23 g/mol
LogP1.17
Rot. Bonds2

About [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol

[(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol (PubChem CID 177009915) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol
PubChem CID177009915
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol
SMILESCCN1CC/C(=C\F)C(CO)C1
InChIInChI=1S/C9H16FNO/c1-2-11-4-3-8(5-10)9(6-11)7-12/h5,9,12H,2-4,6-7H2,1H3/b8-5+
InChIKeyGLCWZEMGYZZTLD-VMPITWQZSA-N
XLogP1.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

[(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
[(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,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 171479033
[(4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208146
[4-(Fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208477
[(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175525631
[(4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175525633
[4-(Difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol
CID 175554836
[3-Ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175554839

Frequently Asked Questions

What is the IUPAC name of [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol?
The IUPAC name of [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol (CID 177009915) is [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol.
What is the SMILES notation for [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol?
The canonical SMILES for [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol is CCN1CC/C(=C\F)C(CO)C1.
What is the InChIKey of [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol?
The InChIKey is GLCWZEMGYZZTLD-VMPITWQZSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-11-4-3-8(5-10)9(6-11)7-12/h5,9,12H,2-4,6-7H2,1H3/b8-5+.
What are the key properties of [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol?
[(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol has a molecular weight of 173.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-1-ethyl-4-(fluoromethylidene)piperidin-3-yl]methanol is sourced from PubChem (CID 177009915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).