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

C25H34BrN3 — CID 127033285

IUPAC1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine
SMILESBrc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H34BrN3/c26-24-7-9-25(10-8-24)29-19-17-28(18-20-29)14-4-13-27-15-11-23(12-16-27)21-22-5-2-1-3-6-22/h1-3,5-10,23H,4,11-21H2
InChIKeyPVGPGTOPBMMJHX-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.92
Rot. Bonds7

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

1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine (PubChem CID 127033285) has the molecular formula C25H34BrN3 and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine
PubChem CID127033285
Molecular FormulaC25H34BrN3
Molecular Weight456.47 g/mol
Exact Mass455.19
IUPAC Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine
SMILESBrc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H34BrN3/c26-24-7-9-25(10-8-24)29-19-17-28(18-20-29)14-4-13-27-15-11-23(12-16-27)21-22-5-2-1-3-6-22/h1-3,5-10,23H,4,11-21H2
InChIKeyPVGPGTOPBMMJHX-UHFFFAOYSA-N
XLogP4.92
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
n,n-Dibenzyl-4-bromoaniline
CID 285423
1-Phenyl-4-(3-phenyl-cyclohex-3-enylmethyl)-piperazine
CID 10359439
1-Phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
1-[3-(4-Benzylpiperidin-1-yl)propyl]-4-phenylpiperazine
CID 127033888
1-phenyl-4-[2-[(1S,3S)-3-phenylcyclohexyl]ethyl]piperazine
CID 162650897
1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine
CID 162674453
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline
CID 166627388
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide
CID 166628736
1-Phenyl-4-[1-(2-phenylethyl)-4-piperidinyl]piperazine
CID 2846536
1-(3-Bromobenzyl)-4-phenylpiperazine
CID 763885
US10233152, Example 33
CID 129279721

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine?
The IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine (CID 127033285) is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine.
What is the SMILES notation for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine?
The canonical SMILES for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine is Brc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine?
The InChIKey is PVGPGTOPBMMJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34BrN3/c26-24-7-9-25(10-8-24)29-19-17-28(18-20-29)14-4-13-27-15-11-23(12-16-27)21-22-5-2-1-3-6-22/h1-3,5-10,23H,4,11-21H2.
What are the key properties of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine?
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine has a molecular weight of 456.47 g/mol, XLogP of 4.92, 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-(4-bromophenyl)piperazine is sourced from PubChem (CID 127033285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).