1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine

C25H33Cl2N3 — CID 127033286

IUPAC1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine
SMILESClc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C25H33Cl2N3/c26-23-7-8-25(24(27)20-23)30-17-15-29(16-18-30)12-4-11-28-13-9-22(10-14-28)19-21-5-2-1-3-6-21/h1-3,5-8,20,22H,4,9-19H2
InChIKeyCLIDDXAQANIXOT-UHFFFAOYSA-N
MW446.47 g/mol
LogP5.46
Rot. Bonds7

About 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine

1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine (PubChem CID 127033286) has the molecular formula C25H33Cl2N3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine
PubChem CID127033286
Molecular FormulaC25H33Cl2N3
Molecular Weight446.47 g/mol
Exact Mass445.21
IUPAC Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine
SMILESClc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C25H33Cl2N3/c26-23-7-8-25(24(27)20-23)30-17-15-29(16-18-30)12-4-11-28-13-9-22(10-14-28)19-21-5-2-1-3-6-21/h1-3,5-8,20,22H,4,9-19H2
InChIKeyCLIDDXAQANIXOT-UHFFFAOYSA-N
XLogP5.46
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine?
The IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine (CID 127033286) is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine.
What is the SMILES notation for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine?
The canonical SMILES for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine is Clc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine?
The InChIKey is CLIDDXAQANIXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33Cl2N3/c26-23-7-8-25(24(27)20-23)30-17-15-29(16-18-30)12-4-11-28-13-9-22(10-14-28)19-21-5-2-1-3-6-21/h1-3,5-8,20,22H,4,9-19H2.
What are the key properties of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine?
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine has a molecular weight of 446.47 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine is sourced from PubChem (CID 127033286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).