1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol

C15H21BrN2O — CID 62909726

IUPAC1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(C3CC3)CC2)c(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-11(19)12-2-5-15(14(16)10-12)18-8-6-17(7-9-18)13-3-4-13/h2,5,10-11,13,19H,3-4,6-9H2,1H3
InChIKeyTZDRQWMOVQDYLE-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.79
Rot. Bonds3

About 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol

1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol (PubChem CID 62909726) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
PubChem CID62909726
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(C3CC3)CC2)c(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-11(19)12-2-5-15(14(16)10-12)18-8-6-17(7-9-18)13-3-4-13/h2,5,10-11,13,19H,3-4,6-9H2,1H3
InChIKeyTZDRQWMOVQDYLE-UHFFFAOYSA-N
XLogP2.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939151
1-[2-bromo-4-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81103130
1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 55130530
1-[4-(azepan-1-yl)-3-bromophenyl]ethanol
CID 62907818
(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-bromophenyl]ethanol
CID 78941137
(1S)-1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940984
(1R)-1-[3-bromo-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 63370615
(1R)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanol
CID 78992812
1-[3-bromo-4-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
CID 63609764
1-[3-bromo-4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 63158863
(1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
CID 55216775

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol (CID 62909726) is 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol is CC(O)c1ccc(N2CCN(C3CC3)CC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is TZDRQWMOVQDYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(19)12-2-5-15(14(16)10-12)18-8-6-17(7-9-18)13-3-4-13/h2,5,10-11,13,19H,3-4,6-9H2,1H3.
What are the key properties of 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol?
1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol has a molecular weight of 325.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 62909726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).