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

C10H18N2 — CID 123503371

IUPAC(E)-4-piperidin-3-ylpent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)C1CCCNC1
InChIInChI=1S/C10H18N2/c1-8(6-9(2)11)10-4-3-5-12-7-10/h6,10-12H,3-5,7H2,1-2H3/b8-6+,11-9+
InChIKeyOVPHWHDUXYEFDX-ZOIFJEAISA-N
MW166.27 g/mol
LogP1.97
Rot. Bonds2

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

(E)-4-piperidin-3-ylpent-3-en-2-imine (PubChem CID 123503371) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-4-piperidin-3-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-piperidin-3-ylpent-3-en-2-imine
PubChem CID123503371
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-4-piperidin-3-ylpent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)C1CCCNC1
InChIInChI=1S/C10H18N2/c1-8(6-9(2)11)10-4-3-5-12-7-10/h6,10-12H,3-5,7H2,1-2H3/b8-6+,11-9+
InChIKeyOVPHWHDUXYEFDX-ZOIFJEAISA-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'}

Analyze (E)-4-piperidin-3-ylpent-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-Fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
CID 123277706
(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
1,1,1-Trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
CID 123932115
2-Fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135096
3-(4-Methylpent-3-enyl)piperidine
CID 177853532
(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine
CID 143787887
3-(4,4-Difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine
CID 178160345
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine
CID 67562135
4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
CID 89037011
4-methyl-N-[2-(6-methylpiperidin-3-yl)ethyl]cyclohex-3-en-1-amine
CID 89503250

Frequently Asked Questions

What is the IUPAC name of (E)-4-piperidin-3-ylpent-3-en-2-imine?
The IUPAC name of (E)-4-piperidin-3-ylpent-3-en-2-imine (CID 123503371) is (E)-4-piperidin-3-ylpent-3-en-2-imine.
What is the SMILES notation for (E)-4-piperidin-3-ylpent-3-en-2-imine?
The canonical SMILES for (E)-4-piperidin-3-ylpent-3-en-2-imine is [H]/N=C(C)/C=C(\C)C1CCCNC1.
What is the InChIKey of (E)-4-piperidin-3-ylpent-3-en-2-imine?
The InChIKey is OVPHWHDUXYEFDX-ZOIFJEAISA-N. The full InChI is InChI=1S/C10H18N2/c1-8(6-9(2)11)10-4-3-5-12-7-10/h6,10-12H,3-5,7H2,1-2H3/b8-6+,11-9+.
What are the key properties of (E)-4-piperidin-3-ylpent-3-en-2-imine?
(E)-4-piperidin-3-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-3-ylpent-3-en-2-imine is sourced from PubChem (CID 123503371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).