N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine

C11H18N2 — CID 142864209

IUPACN-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)C1CCNCC1
InChIInChI=1S/C11H18N2/c1-3-10(4-7-12-2)11-5-8-13-9-6-11/h3-4,7,11,13H,2,5-6,8-9H2,1H3/b7-4-,10-3+
InChIKeyKBAZCOSBJBRRMK-PZPRPFQRSA-N
MW178.28 g/mol
LogP2.15
Rot. Bonds3

About N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine

N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine (PubChem CID 142864209) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine
PubChem CID142864209
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)C1CCNCC1
InChIInChI=1S/C11H18N2/c1-3-10(4-7-12-2)11-5-8-13-9-6-11/h3-4,7,11,13H,2,5-6,8-9H2,1H3/b7-4-,10-3+
InChIKeyKBAZCOSBJBRRMK-PZPRPFQRSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 143984943
4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium
CID 59718538
4-[(2Z,4Z)-hexa-2,4-dienyl]piperidine
CID 89113434
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
CID 89292690
(1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine
CID 89331657
4-Penta-1,3-dien-3-ylpiperidine
CID 91103322
4-[2-(6-Methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine
CID 91179659
6-Methyl-3-piperidin-4-yl-1,2-dihydropyridine
CID 118423115
4-Hexa-1,3,5-trien-3-ylpiperidine
CID 123221564
4-(4-Methylpenta-2,4-dien-2-yl)piperidine
CID 123237175
4-(5-Methylhexa-2,4-dien-2-yl)piperidine
CID 123238114

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine (CID 142864209) is N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine is C=N/C=C\C(=C/C)C1CCNCC1.
What is the InChIKey of N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine?
The InChIKey is KBAZCOSBJBRRMK-PZPRPFQRSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10(4-7-12-2)11-5-8-13-9-6-11/h3-4,7,11,13H,2,5-6,8-9H2,1H3/b7-4-,10-3+.
What are the key properties of N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine has a molecular weight of 178.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-piperidin-4-ylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 142864209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).