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

C10H18FNO — CID 171479032

IUPAC[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
SMILESCCN1CC/C(=C\F)[C@](C)(CO)C1
InChIInChI=1S/C10H18FNO/c1-3-12-5-4-9(6-11)10(2,7-12)8-13/h6,13H,3-5,7-8H2,1-2H3/b9-6+/t10-/m0/s1
InChIKeyPNLNIKYRJOFFMF-ZKXNXJMVSA-N
MW187.26 g/mol
LogP1.56
Rot. Bonds2

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

[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol (PubChem CID 171479032) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is [(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
PubChem CID171479032
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
SMILESCCN1CC/C(=C\F)[C@](C)(CO)C1
InChIInChI=1S/C10H18FNO/c1-3-12-5-4-9(6-11)10(2,7-12)8-13/h6,13H,3-5,7-8H2,1-2H3/b9-6+/t10-/m0/s1
InChIKeyPNLNIKYRJOFFMF-ZKXNXJMVSA-N
XLogP1.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 [(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol (CID 171479032) is [(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol is CCN1CC/C(=C\F)[C@](C)(CO)C1.
What is the InChIKey of [(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol?
The InChIKey is PNLNIKYRJOFFMF-ZKXNXJMVSA-N. The full InChI is InChI=1S/C10H18FNO/c1-3-12-5-4-9(6-11)10(2,7-12)8-13/h6,13H,3-5,7-8H2,1-2H3/b9-6+/t10-/m0/s1.
What are the key properties of [(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol?
[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol has a molecular weight of 187.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 171479032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).