1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine

C25H34ClN3 — CID 127033890

IUPAC1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C25H34ClN3/c26-24-8-4-9-25(21-24)29-18-16-28(17-19-29)13-5-12-27-14-10-23(11-15-27)20-22-6-2-1-3-7-22/h1-4,6-9,21,23H,5,10-20H2
InChIKeySUFGHRBJEYNLIR-UHFFFAOYSA-N
MW412.02 g/mol
LogP4.81
Rot. Bonds7

About 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine

1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine (PubChem CID 127033890) has the molecular formula C25H34ClN3 and a molecular weight of 412.02 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine
PubChem CID127033890
Molecular FormulaC25H34ClN3
Molecular Weight412.02 g/mol
Exact Mass411.24
IUPAC Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C25H34ClN3/c26-24-8-4-9-25(21-24)29-18-16-28(17-19-29)13-5-12-27-14-10-23(11-15-27)20-22-6-2-1-3-7-22/h1-4,6-9,21,23H,5,10-20H2
InChIKeySUFGHRBJEYNLIR-UHFFFAOYSA-N
XLogP4.81
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.02
LogP ≤ 54.81
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-(3-chlorophenyl)piperazine?
The IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine (CID 127033890) is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine is Clc1cccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c1.
What is the InChIKey of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine?
The InChIKey is SUFGHRBJEYNLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3/c26-24-8-4-9-25(21-24)29-18-16-28(17-19-29)13-5-12-27-14-10-23(11-15-27)20-22-6-2-1-3-7-22/h1-4,6-9,21,23H,5,10-20H2.
What are the key properties of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine?
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine has a molecular weight of 412.02 g/mol, XLogP of 4.81, 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-(3-chlorophenyl)piperazine is sourced from PubChem (CID 127033890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).