1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol

C15H21BrN2O — CID 110935931

IUPAC1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(C2CC2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c16-13-3-1-12(2-4-13)15(19)11-17-7-9-18(10-8-17)14-5-6-14/h1-4,14-15,19H,5-11H2
InChIKeyYGJIUJZOQYDYIB-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.26
Rot. Bonds4

About 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol

1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol (PubChem CID 110935931) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol
PubChem CID110935931
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(C2CC2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c16-13-3-1-12(2-4-13)15(19)11-17-7-9-18(10-8-17)14-5-6-14/h1-4,14-15,19H,5-11H2
InChIKeyYGJIUJZOQYDYIB-UHFFFAOYSA-N
XLogP2.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
CID 15048614
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 95285863
(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 95104680
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol (CID 110935931) is 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol is OC(CN1CCN(C2CC2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol?
The InChIKey is YGJIUJZOQYDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-13-3-1-12(2-4-13)15(19)11-17-7-9-18(10-8-17)14-5-6-14/h1-4,14-15,19H,5-11H2.
What are the key properties of 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol?
1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol has a molecular weight of 325.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol is sourced from PubChem (CID 110935931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).