N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine

C16H28N4 — CID 143649081

IUPACN-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C16H28N4/c1-3-7-16(17-2)20-14-12-19(13-15-20)11-10-18-8-5-4-6-9-18/h3,7H,1-2,4-6,8-15H2/b16-7+
InChIKeyGSKDSEOAWUJJEJ-FRKPEAEDSA-N
MW276.43 g/mol
LogP1.82
Rot. Bonds6

About N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine

N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine (PubChem CID 143649081) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine
PubChem CID143649081
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C16H28N4/c1-3-7-16(17-2)20-14-12-19(13-15-20)11-10-18-8-5-4-6-9-18/h3,7H,1-2,4-6,8-15H2/b16-7+
InChIKeyGSKDSEOAWUJJEJ-FRKPEAEDSA-N
XLogP1.82
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine with MolForge

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Related Compounds

N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
CID 144753254

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine (CID 143649081) is N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine is C=C/C=C(\N=C)N1CCN(CCN2CCCCC2)CC1.
What is the InChIKey of N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine?
The InChIKey is GSKDSEOAWUJJEJ-FRKPEAEDSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-7-16(17-2)20-14-12-19(13-15-20)11-10-18-8-5-4-6-9-18/h3,7H,1-2,4-6,8-15H2/b16-7+.
What are the key properties of N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine?
N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine has a molecular weight of 276.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine is sourced from PubChem (CID 143649081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).