1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine

C27H39ClN4O — CID 11648483

IUPAC1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine
SMILESCOc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1
InChIInChI=1S/C27H39ClN4O/c1-33-27-11-7-10-26(23-27)32-20-16-30(17-21-32)13-5-3-2-4-12-29-14-18-31(19-15-29)25-9-6-8-24(28)22-25/h6-11,22-23H,2-5,12-21H2,1H3
InChIKeyLHRSLSNYJPWXLS-UHFFFAOYSA-N
MW471.09 g/mol
LogP4.85
Rot. Bonds10

About 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine

1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine (PubChem CID 11648483) has the molecular formula C27H39ClN4O and a molecular weight of 471.09 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine
PubChem CID11648483
Molecular FormulaC27H39ClN4O
Molecular Weight471.09 g/mol
Exact Mass470.28
IUPAC Name1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine
SMILESCOc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1
InChIInChI=1S/C27H39ClN4O/c1-33-27-11-7-10-26(23-27)32-20-16-30(17-21-32)13-5-3-2-4-12-29-14-18-31(19-15-29)25-9-6-8-24(28)22-25/h6-11,22-23H,2-5,12-21H2,1H3
InChIKeyLHRSLSNYJPWXLS-UHFFFAOYSA-N
XLogP4.85
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.09
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine (CID 11648483) is 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine is COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine?
The InChIKey is LHRSLSNYJPWXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39ClN4O/c1-33-27-11-7-10-26(23-27)32-20-16-30(17-21-32)13-5-3-2-4-12-29-14-18-31(19-15-29)25-9-6-8-24(28)22-25/h6-11,22-23H,2-5,12-21H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine?
1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine has a molecular weight of 471.09 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine is sourced from PubChem (CID 11648483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).