(1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine

C23H28FN3 — CID 129170197

IUPAC(1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine
SMILESC=C/N=C(C)/C=C1\CC=C(c2cc(F)ccc2C)N=C1CC1CCNCC1
InChIInChI=1S/C23H28FN3/c1-4-26-17(3)13-19-6-8-22(21-15-20(24)7-5-16(21)2)27-23(19)14-18-9-11-25-12-10-18/h4-5,7-8,13,15,18,25H,1,6,9-12,14H2,2-3H3/b19-13+,26-17+
InChIKeyHURLHZZFZXLJRL-LINARPDGSA-N
MW365.50 g/mol
LogP5.24
Rot. Bonds5

About (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine

(1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine (PubChem CID 129170197) has the molecular formula C23H28FN3 and a molecular weight of 365.50 g/mol. Its IUPAC name is (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine.

Molecular Properties

Compound Name(1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine
PubChem CID129170197
Molecular FormulaC23H28FN3
Molecular Weight365.50 g/mol
Exact Mass365.23
IUPAC Name(1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine
SMILESC=C/N=C(C)/C=C1\CC=C(c2cc(F)ccc2C)N=C1CC1CCNCC1
InChIInChI=1S/C23H28FN3/c1-4-26-17(3)13-19-6-8-22(21-15-20(24)7-5-16(21)2)27-23(19)14-18-9-11-25-12-10-18/h4-5,7-8,13,15,18,25H,1,6,9-12,14H2,2-3H3/b19-13+,26-17+
InChIKeyHURLHZZFZXLJRL-LINARPDGSA-N
XLogP5.24
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine?
The IUPAC name of (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine (CID 129170197) is (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine.
What is the SMILES notation for (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine?
The canonical SMILES for (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine is C=C/N=C(C)/C=C1\CC=C(c2cc(F)ccc2C)N=C1CC1CCNCC1.
What is the InChIKey of (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine?
The InChIKey is HURLHZZFZXLJRL-LINARPDGSA-N. The full InChI is InChI=1S/C23H28FN3/c1-4-26-17(3)13-19-6-8-22(21-15-20(24)7-5-16(21)2)27-23(19)14-18-9-11-25-12-10-18/h4-5,7-8,13,15,18,25H,1,6,9-12,14H2,2-3H3/b19-13+,26-17+.
What are the key properties of (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine?
(1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine has a molecular weight of 365.50 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine is sourced from PubChem (CID 129170197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).