(E)-4-piperidin-4-ylpent-3-en-2-imine

C10H18N2 — CID 123268672

IUPAC(E)-4-piperidin-4-ylpent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)C1CCNCC1
InChIInChI=1S/C10H18N2/c1-8(7-9(2)11)10-3-5-12-6-4-10/h7,10-12H,3-6H2,1-2H3/b8-7+,11-9+
InChIKeyPCEPURHUVVGLEQ-MFDVASPDSA-N
MW166.27 g/mol
LogP1.97
Rot. Bonds2

About (E)-4-piperidin-4-ylpent-3-en-2-imine

(E)-4-piperidin-4-ylpent-3-en-2-imine (PubChem CID 123268672) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-4-piperidin-4-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-piperidin-4-ylpent-3-en-2-imine
PubChem CID123268672
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-4-piperidin-4-ylpent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)C1CCNCC1
InChIInChI=1S/C10H18N2/c1-8(7-9(2)11)10-3-5-12-6-4-10/h7,10-12H,3-6H2,1-2H3/b8-7+,11-9+
InChIKeyPCEPURHUVVGLEQ-MFDVASPDSA-N
XLogP1.97
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine
CID 91008841
5-(1-Fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
CID 123277706
(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine
CID 161322610
4-(3-Methylbutylidene)piperidine
CID 21990002
4-(2-Methylprop-1-en-1-yl)piperidine
CID 57416274
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
4-(2-Ethylbutylidene)piperidine
CID 82934807
3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
CID 90691312
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
(4Z)-4-propylidenepiperidin-3-imine
CID 123275226
4-But-2-en-2-ylpiperidine
CID 123368213

Frequently Asked Questions

What is the IUPAC name of (E)-4-piperidin-4-ylpent-3-en-2-imine?
The IUPAC name of (E)-4-piperidin-4-ylpent-3-en-2-imine (CID 123268672) is (E)-4-piperidin-4-ylpent-3-en-2-imine.
What is the SMILES notation for (E)-4-piperidin-4-ylpent-3-en-2-imine?
The canonical SMILES for (E)-4-piperidin-4-ylpent-3-en-2-imine is [H]/N=C(C)/C=C(\C)C1CCNCC1.
What is the InChIKey of (E)-4-piperidin-4-ylpent-3-en-2-imine?
The InChIKey is PCEPURHUVVGLEQ-MFDVASPDSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(7-9(2)11)10-3-5-12-6-4-10/h7,10-12H,3-6H2,1-2H3/b8-7+,11-9+.
What are the key properties of (E)-4-piperidin-4-ylpent-3-en-2-imine?
(E)-4-piperidin-4-ylpent-3-en-2-imine has a molecular weight of 166.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-piperidin-4-ylpent-3-en-2-imine is sourced from PubChem (CID 123268672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).