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

C10H18FNO — CID 175554839

IUPAC[3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
SMILESCCC1(CO)CN(C)CCC1=CF
InChIInChI=1S/C10H18FNO/c1-3-10(8-13)7-12(2)5-4-9(10)6-11/h6,13H,3-5,7-8H2,1-2H3
InChIKeyMXIHFHXHGKHKIW-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.56
Rot. Bonds2

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

[3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol (PubChem CID 175554839) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is [3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
PubChem CID175554839
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name[3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
SMILESCCC1(CO)CN(C)CCC1=CF
InChIInChI=1S/C10H18FNO/c1-3-10(8-13)7-12(2)5-4-9(10)6-11/h6,13H,3-5,7-8H2,1-2H3
InChIKeyMXIHFHXHGKHKIW-UHFFFAOYSA-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 [3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol?
The IUPAC name of [3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol (CID 175554839) is [3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol?
The canonical SMILES for [3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol is CCC1(CO)CN(C)CCC1=CF.
What is the InChIKey of [3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol?
The InChIKey is MXIHFHXHGKHKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-3-10(8-13)7-12(2)5-4-9(10)6-11/h6,13H,3-5,7-8H2,1-2H3.
What are the key properties of [3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol?
[3-ethyl-4-(fluoromethylidene)-1-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 [3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 175554839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).