1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine

C24H32BrN3 — CID 127032017

IUPAC1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine
SMILESBrc1ccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C24H32BrN3/c25-23-6-8-24(9-7-23)28-18-16-27(17-19-28)15-14-26-12-10-22(11-13-26)20-21-4-2-1-3-5-21/h1-9,22H,10-20H2
InChIKeyNDEHHPQHCFLQEI-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.53
Rot. Bonds6

About 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine

1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine (PubChem CID 127032017) has the molecular formula C24H32BrN3 and a molecular weight of 442.45 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine
PubChem CID127032017
Molecular FormulaC24H32BrN3
Molecular Weight442.45 g/mol
Exact Mass441.18
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine
SMILESBrc1ccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C24H32BrN3/c25-23-6-8-24(9-7-23)28-18-16-27(17-19-28)15-14-26-12-10-22(11-13-26)20-21-4-2-1-3-5-21/h1-9,22H,10-20H2
InChIKeyNDEHHPQHCFLQEI-UHFFFAOYSA-N
XLogP4.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

n,n-Dibenzyl-4-bromoaniline
CID 285423
1-Phenyl-4-(3-phenyl-cyclohex-3-enylmethyl)-piperazine
CID 10359439
(Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile
CID 57342889
1-Phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
1-[3-(4-Benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine
CID 127033285
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine (CID 127032017) is 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine is Brc1ccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine?
The InChIKey is NDEHHPQHCFLQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN3/c25-23-6-8-24(9-7-23)28-18-16-27(17-19-28)15-14-26-12-10-22(11-13-26)20-21-4-2-1-3-5-21/h1-9,22H,10-20H2.
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine?
1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine has a molecular weight of 442.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine is sourced from PubChem (CID 127032017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).