1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine

C24H30N2 — CID 56975979

IUPAC1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
SMILESC(=Cc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H30N2/c1-3-17-25(18-4-1)23-13-9-21(10-14-23)7-8-22-11-15-24(16-12-22)26-19-5-2-6-20-26/h7-16H,1-6,17-20H2
InChIKeyMFNHBFJRKHYJJW-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.84
Rot. Bonds4

About 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine

1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine (PubChem CID 56975979) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine.

Molecular Properties

Compound Name1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
PubChem CID56975979
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
SMILESC(=Cc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H30N2/c1-3-17-25(18-4-1)23-13-9-21(10-14-23)7-8-22-11-15-24(16-12-22)26-19-5-2-6-20-26/h7-16H,1-6,17-20H2
InChIKeyMFNHBFJRKHYJJW-UHFFFAOYSA-N
XLogP5.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 169484506
3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
CID 169454389
1-methyl-4-[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium iodide
CID 71447202
1-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium iodide
CID 91995316
1-[4-[(E)-2-[2,4,6-trinitro-3,5-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]piperidine
CID 101104723
4,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyrimidine
CID 71457448
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 18363088
[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate
CID 174381521
5-bromo-2-fluoro-3-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyridine
CID 58941098
2-hydroxy-3-methyl-5-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]benzaldehyde
CID 159685527

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine?
The IUPAC name of 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine (CID 56975979) is 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine.
What is the SMILES notation for 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine?
The canonical SMILES for 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine is C(=Cc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine?
The InChIKey is MFNHBFJRKHYJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-3-17-25(18-4-1)23-13-9-21(10-14-23)7-8-22-11-15-24(16-12-22)26-19-5-2-6-20-26/h7-16H,1-6,17-20H2.
What are the key properties of 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine?
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine has a molecular weight of 346.52 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine is sourced from PubChem (CID 56975979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).