1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine

C21H24ClNO — CID 54361762

IUPAC1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine
SMILESCC(=CCN1CCCCC1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C21H24ClNO/c1-17(13-16-23-14-5-2-6-15-23)18-9-11-19(12-10-18)24-21-8-4-3-7-20(21)22/h3-4,7-13H,2,5-6,14-16H2,1H3
InChIKeyUMZSXEHVGKEWGQ-UHFFFAOYSA-N
MW341.88 g/mol
LogP6.02
Rot. Bonds5

About 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine

1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine (PubChem CID 54361762) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine
PubChem CID54361762
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine
SMILESCC(=CCN1CCCCC1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C21H24ClNO/c1-17(13-16-23-14-5-2-6-15-23)18-9-11-19(12-10-18)24-21-8-4-3-7-20(21)22/h3-4,7-13H,2,5-6,14-16H2,1H3
InChIKeyUMZSXEHVGKEWGQ-UHFFFAOYSA-N
XLogP6.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.88
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine
CID 54423358
3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine
CID 54040736
1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine
CID 54552754
4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine
CID 54478341
1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine
CID 54253677
azane;1-chloro-2-phenoxybenzene
CID 68980819
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol
CID 54252041
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
CID 11558602

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine?
The IUPAC name of 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine (CID 54361762) is 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine.
What is the SMILES notation for 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine?
The canonical SMILES for 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine is CC(=CCN1CCCCC1)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine?
The InChIKey is UMZSXEHVGKEWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO/c1-17(13-16-23-14-5-2-6-15-23)18-9-11-19(12-10-18)24-21-8-4-3-7-20(21)22/h3-4,7-13H,2,5-6,14-16H2,1H3.
What are the key properties of 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine?
1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine has a molecular weight of 341.88 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine is sourced from PubChem (CID 54361762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).