(Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine

C23H30BrClN2 — CID 142177469

IUPAC(Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine
SMILESC=C/N=C(\C=C/C)C(CCCC1CCNCC1)c1ccc(Cl)cc1/C=C/Br
InChIInChI=1S/C23H30BrClN2/c1-3-6-23(27-4-2)22(8-5-7-18-12-15-26-16-13-18)21-10-9-20(25)17-19(21)11-14-24/h3-4,6,9-11,14,17-18,22,26H,2,5,7-8,12-13,15-16H2,1H3/b6-3-,14-11+,27-23+
InChIKeyZNCGJAWEWIDIML-ISYOGNIKSA-N
MW449.86 g/mol
LogP7.12
Rot. Bonds9

About (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine

(Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine (PubChem CID 142177469) has the molecular formula C23H30BrClN2 and a molecular weight of 449.86 g/mol. Its IUPAC name is (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine.

Molecular Properties

Compound Name(Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine
PubChem CID142177469
Molecular FormulaC23H30BrClN2
Molecular Weight449.86 g/mol
Exact Mass448.13
IUPAC Name(Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine
SMILESC=C/N=C(\C=C/C)C(CCCC1CCNCC1)c1ccc(Cl)cc1/C=C/Br
InChIInChI=1S/C23H30BrClN2/c1-3-6-23(27-4-2)22(8-5-7-18-12-15-26-16-13-18)21-10-9-20(25)17-19(21)11-14-24/h3-4,6,9-11,14,17-18,22,26H,2,5,7-8,12-13,15-16H2,1H3/b6-3-,14-11+,27-23+
InChIKeyZNCGJAWEWIDIML-ISYOGNIKSA-N
XLogP7.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.86
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-6-[4-chloro-2-[(E)-prop-1-enyl]phenyl]-6-piperidin-4-ylhexa-1,3-dien-1-amine
CID 142119425
4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine
CID 142119498
4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol
CID 135513787
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
4-[4,4-bis(4-fluorophenyl)butyl]piperidine
CID 19857167
4-[3-(3,4-difluorophenyl)propyl]piperidine
CID 18187745
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
CID 75357498
4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
CID 3059025
4-piperidin-4-yl-1-pyridin-4-ylbutan-1-ol
CID 69293127
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine?
The IUPAC name of (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine (CID 142177469) is (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine.
What is the SMILES notation for (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine?
The canonical SMILES for (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine is C=C/N=C(\C=C/C)C(CCCC1CCNCC1)c1ccc(Cl)cc1/C=C/Br.
What is the InChIKey of (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine?
The InChIKey is ZNCGJAWEWIDIML-ISYOGNIKSA-N. The full InChI is InChI=1S/C23H30BrClN2/c1-3-6-23(27-4-2)22(8-5-7-18-12-15-26-16-13-18)21-10-9-20(25)17-19(21)11-14-24/h3-4,6,9-11,14,17-18,22,26H,2,5,7-8,12-13,15-16H2,1H3/b6-3-,14-11+,27-23+.
What are the key properties of (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine?
(Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine has a molecular weight of 449.86 g/mol, XLogP of 7.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[2-[(E)-2-bromoethenyl]-4-chlorophenyl]-N-ethenyl-8-piperidin-4-yloct-2-en-4-imine is sourced from PubChem (CID 142177469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).