1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine

C28H33ClN2O2 — CID 10096015

IUPAC1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine
SMILESClc1cccc(CCCN2CCN(CCOCc3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C28H33ClN2O2/c29-26-8-4-6-24(22-26)7-5-15-30-16-18-31(19-17-30)20-21-32-23-25-11-13-28(14-12-25)33-27-9-2-1-3-10-27/h1-4,6,8-14,22H,5,7,15-21,23H2
InChIKeyLXPFBKQPINTHIQ-UHFFFAOYSA-N
MW465.04 g/mol
LogP5.90
Rot. Bonds11

About 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine

1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine (PubChem CID 10096015) has the molecular formula C28H33ClN2O2 and a molecular weight of 465.04 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine
PubChem CID10096015
Molecular FormulaC28H33ClN2O2
Molecular Weight465.04 g/mol
Exact Mass464.22
IUPAC Name1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine
SMILESClc1cccc(CCCN2CCN(CCOCc3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C28H33ClN2O2/c29-26-8-4-6-24(22-26)7-5-15-30-16-18-31(19-17-30)20-21-32-23-25-11-13-28(14-12-25)33-27-9-2-1-3-10-27/h1-4,6,8-14,22H,5,7,15-21,23H2
InChIKeyLXPFBKQPINTHIQ-UHFFFAOYSA-N
XLogP5.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3-phenoxyphenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67898556
1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 19102671
1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 67898890
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine
CID 19102661
1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 23220745
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine?
The IUPAC name of 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine (CID 10096015) is 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine.
What is the SMILES notation for 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine?
The canonical SMILES for 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine is Clc1cccc(CCCN2CCN(CCOCc3ccc(Oc4ccccc4)cc3)CC2)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine?
The InChIKey is LXPFBKQPINTHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O2/c29-26-8-4-6-24(22-26)7-5-15-30-16-18-31(19-17-30)20-21-32-23-25-11-13-28(14-12-25)33-27-9-2-1-3-10-27/h1-4,6,8-14,22H,5,7,15-21,23H2.
What are the key properties of 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine?
1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine has a molecular weight of 465.04 g/mol, XLogP of 5.90, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine is sourced from PubChem (CID 10096015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).