(3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine

C21H34N2 — CID 178017909

IUPAC(3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine
SMILESC/C=c1/ccnc(C2CCN(CCCC(C)C)CC2)/c1=C/CC
InChIInChI=1S/C21H34N2/c1-5-8-20-18(6-2)10-13-22-21(20)19-11-15-23(16-12-19)14-7-9-17(3)4/h6,8,10,13,17,19H,5,7,9,11-12,14-16H2,1-4H3/b18-6-,20-8+
InChIKeyIPXRTVDRWJAMHM-LLICJBIVSA-N
MW314.52 g/mol
LogP3.69
Rot. Bonds6

About (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine

(3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine (PubChem CID 178017909) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine.

Molecular Properties

Compound Name(3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine
PubChem CID178017909
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name(3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine
SMILESC/C=c1/ccnc(C2CCN(CCCC(C)C)CC2)/c1=C/CC
InChIInChI=1S/C21H34N2/c1-5-8-20-18(6-2)10-13-22-21(20)19-11-15-23(16-12-19)14-7-9-17(3)4/h6,8,10,13,17,19H,5,7,9,11-12,14-16H2,1-4H3/b18-6-,20-8+
InChIKeyIPXRTVDRWJAMHM-LLICJBIVSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine?
The IUPAC name of (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine (CID 178017909) is (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine.
What is the SMILES notation for (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine?
The canonical SMILES for (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine is C/C=c1/ccnc(C2CCN(CCCC(C)C)CC2)/c1=C/CC.
What is the InChIKey of (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine?
The InChIKey is IPXRTVDRWJAMHM-LLICJBIVSA-N. The full InChI is InChI=1S/C21H34N2/c1-5-8-20-18(6-2)10-13-22-21(20)19-11-15-23(16-12-19)14-7-9-17(3)4/h6,8,10,13,17,19H,5,7,9,11-12,14-16H2,1-4H3/b18-6-,20-8+.
What are the key properties of (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine?
(3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine has a molecular weight of 314.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine is sourced from PubChem (CID 178017909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).