1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine

C22H26ClN — CID 54253677

IUPAC1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine
SMILESCC(=CCCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClN/c1-18(6-5-17-24-15-3-2-4-16-24)19-7-9-20(10-8-19)21-11-13-22(23)14-12-21/h6-14H,2-5,15-17H2,1H3
InChIKeyQYNMCKAXZDMQSO-UHFFFAOYSA-N
MW339.91 g/mol
LogP6.29
Rot. Bonds5

About 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine

1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine (PubChem CID 54253677) has the molecular formula C22H26ClN and a molecular weight of 339.91 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine
PubChem CID54253677
Molecular FormulaC22H26ClN
Molecular Weight339.91 g/mol
Exact Mass339.18
IUPAC Name1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine
SMILESCC(=CCCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClN/c1-18(6-5-17-24-15-3-2-4-16-24)19-7-9-20(10-8-19)21-11-13-22(23)14-12-21/h6-14H,2-5,15-17H2,1H3
InChIKeyQYNMCKAXZDMQSO-UHFFFAOYSA-N
XLogP6.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.91
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine
CID 54435929
(Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine
CID 70596966
1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine
CID 54423358
2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol
CID 54252041
1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine
CID 54361762
1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155812406
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
6-[(Z)-1-(4-tert-butylphenyl)-4-pyrrolidin-1-ylbut-1-enyl]-3-chloro-1H-pyridin-2-one
CID 67397661
1-[4-(4-chlorophenyl)phenyl]-3-(2,2-dimethyl-4-piperidin-1-ylbutyl)urea
CID 143531550
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine
CID 70007313
1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine
CID 143629002

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine?
The IUPAC name of 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine (CID 54253677) is 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine.
What is the SMILES notation for 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine?
The canonical SMILES for 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine is CC(=CCCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine?
The InChIKey is QYNMCKAXZDMQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN/c1-18(6-5-17-24-15-3-2-4-16-24)19-7-9-20(10-8-19)21-11-13-22(23)14-12-21/h6-14H,2-5,15-17H2,1H3.
What are the key properties of 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine?
1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine has a molecular weight of 339.91 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine is sourced from PubChem (CID 54253677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).