1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine

C15H23BrN2 — CID 64953111

IUPAC1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C(C)c2cccc(Br)c2)CCN1
InChIInChI=1S/C15H23BrN2/c1-11(2)15-10-18(8-7-17-15)12(3)13-5-4-6-14(16)9-13/h4-6,9,11-12,15,17H,7-8,10H2,1-3H3
InChIKeyXCDWEASMCZYSRP-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.44
Rot. Bonds3

About 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine

1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine (PubChem CID 64953111) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
PubChem CID64953111
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C(C)c2cccc(Br)c2)CCN1
InChIInChI=1S/C15H23BrN2/c1-11(2)15-10-18(8-7-17-15)12(3)13-5-4-6-14(16)9-13/h4-6,9,11-12,15,17H,7-8,10H2,1-3H3
InChIKeyXCDWEASMCZYSRP-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine
CID 64953710
(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine
CID 68931032
4-[1-(3-bromophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64953315
1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 20794534
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
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CID 103575101
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595473
2-(3-bromophenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979771
3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
CID 119924296
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
CID 65418520
3-butan-2-yl-1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
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1-[1-(3-bromo-4-fluorophenyl)ethyl]-3-methylpiperazine
CID 65416576

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine (CID 64953111) is 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine is CC(C)C1CN(C(C)c2cccc(Br)c2)CCN1.
What is the InChIKey of 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine?
The InChIKey is XCDWEASMCZYSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11(2)15-10-18(8-7-17-15)12(3)13-5-4-6-14(16)9-13/h4-6,9,11-12,15,17H,7-8,10H2,1-3H3.
What are the key properties of 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine?
1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine has a molecular weight of 311.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine is sourced from PubChem (CID 64953111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).