2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol

C17H27BrN2O — CID 11360223

IUPAC2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol
SMILESCCC(O)(CC)C(CN1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C17H27BrN2O/c1-3-17(21,4-2)16(13-20-10-8-19-9-11-20)14-6-5-7-15(18)12-14/h5-7,12,16,19,21H,3-4,8-11,13H2,1-2H3
InChIKeyFSZYSORXWKBAGD-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.99
Rot. Bonds6

About 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol

2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol (PubChem CID 11360223) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol
PubChem CID11360223
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol
SMILESCCC(O)(CC)C(CN1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C17H27BrN2O/c1-3-17(21,4-2)16(13-20-10-8-19-9-11-20)14-6-5-7-15(18)12-14/h5-7,12,16,19,21H,3-4,8-11,13H2,1-2H3
InChIKeyFSZYSORXWKBAGD-UHFFFAOYSA-N
XLogP2.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite
CID 159152208
8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol
CID 141128657
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
CID 68855594
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol
CID 11199492
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
1-(3-methyl-2-phenylpentyl)piperazine
CID 62488695
1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
CID 83559257
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol?
The IUPAC name of 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol (CID 11360223) is 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol.
What is the SMILES notation for 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol?
The canonical SMILES for 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol is CCC(O)(CC)C(CN1CCNCC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol?
The InChIKey is FSZYSORXWKBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-3-17(21,4-2)16(13-20-10-8-19-9-11-20)14-6-5-7-15(18)12-14/h5-7,12,16,19,21H,3-4,8-11,13H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol?
2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol has a molecular weight of 355.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol is sourced from PubChem (CID 11360223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).