(2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine

C15H23FN2 — CID 166080082

IUPAC(2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine
SMILESC/C=C1\NC=C(CN2CCC(C)(F)CC2)C=C1C
InChIInChI=1S/C15H23FN2/c1-4-14-12(2)9-13(10-17-14)11-18-7-5-15(3,16)6-8-18/h4,9-10,17H,5-8,11H2,1-3H3/b14-4-
InChIKeyMXUAUPXIAIYJFV-CPSFFCFKSA-N
MW250.36 g/mol
LogP3.15
Rot. Bonds2

About (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine

(2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine (PubChem CID 166080082) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine
PubChem CID166080082
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine
SMILESC/C=C1\NC=C(CN2CCC(C)(F)CC2)C=C1C
InChIInChI=1S/C15H23FN2/c1-4-14-12(2)9-13(10-17-14)11-18-7-5-15(3,16)6-8-18/h4,9-10,17H,5-8,11H2,1-3H3/b14-4-
InChIKeyMXUAUPXIAIYJFV-CPSFFCFKSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine?
The IUPAC name of (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine (CID 166080082) is (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine.
What is the SMILES notation for (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine?
The canonical SMILES for (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine is C/C=C1\NC=C(CN2CCC(C)(F)CC2)C=C1C.
What is the InChIKey of (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine?
The InChIKey is MXUAUPXIAIYJFV-CPSFFCFKSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-14-12(2)9-13(10-17-14)11-18-7-5-15(3,16)6-8-18/h4,9-10,17H,5-8,11H2,1-3H3/b14-4-.
What are the key properties of (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine?
(2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine has a molecular weight of 250.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine is sourced from PubChem (CID 166080082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).