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

C21H23Cl2NO — CID 54423358

IUPAC1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine
SMILESCC(=CCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H23Cl2NO/c1-16(11-14-24-12-3-2-4-13-24)17-5-8-19(9-6-17)25-21-10-7-18(22)15-20(21)23/h5-11,15H,2-4,12-14H2,1H3
InChIKeyWCIWBDWSXYDBSB-UHFFFAOYSA-N
MW376.33 g/mol
LogP6.67
Rot. Bonds5

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

1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine (PubChem CID 54423358) has the molecular formula C21H23Cl2NO and a molecular weight of 376.33 g/mol. Its IUPAC name is 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine
PubChem CID54423358
Molecular FormulaC21H23Cl2NO
Molecular Weight376.33 g/mol
Exact Mass375.12
IUPAC Name1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine
SMILESCC(=CCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H23Cl2NO/c1-16(11-14-24-12-3-2-4-13-24)17-5-8-19(9-6-17)25-21-10-7-18(22)15-20(21)23/h5-11,15H,2-4,12-14H2,1H3
InChIKeyWCIWBDWSXYDBSB-UHFFFAOYSA-N
XLogP6.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.33
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine
CID 54552754
1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine
CID 54361762
3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine
CID 54040736
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
4-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]morpholine
CID 54478341
1-[4-(2,4-dichlorophenoxy)phenyl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 2806224
2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
CID 12804883
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
CID 152744474
CID 152744474
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
CID 160666501
3,4-bis[4-(pyrrolidin-1-ylmethyl)phenoxy]benzamide
CID 169179173

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine?
The IUPAC name of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine (CID 54423358) is 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine.
What is the SMILES notation for 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine?
The canonical SMILES for 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine is CC(=CCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine?
The InChIKey is WCIWBDWSXYDBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO/c1-16(11-14-24-12-3-2-4-13-24)17-5-8-19(9-6-17)25-21-10-7-18(22)15-20(21)23/h5-11,15H,2-4,12-14H2,1H3.
What are the key properties of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine?
1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine has a molecular weight of 376.33 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine is sourced from PubChem (CID 54423358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).