(1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol

C15H23BrN2O — CID 55216775

IUPAC(1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
SMILESCCN1CCN(c2ccc([C@@H](C)O)cc2Br)CC1C
InChIInChI=1S/C15H23BrN2O/c1-4-17-7-8-18(10-11(17)2)15-6-5-13(12(3)19)9-14(15)16/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3/t11?,12-/m1/s1
InChIKeySAJPLVGWHNISQY-PIJUOVFKSA-N
MW327.27 g/mol
LogP3.03
Rot. Bonds3

About (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol

(1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol (PubChem CID 55216775) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
PubChem CID55216775
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name(1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
SMILESCCN1CCN(c2ccc([C@@H](C)O)cc2Br)CC1C
InChIInChI=1S/C15H23BrN2O/c1-4-17-7-8-18(10-11(17)2)15-6-5-13(12(3)19)9-14(15)16/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3/t11?,12-/m1/s1
InChIKeySAJPLVGWHNISQY-PIJUOVFKSA-N
XLogP3.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.03
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-bromo-4-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
CID 63609764
1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
CID 82970507
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
CID 55216386
1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909726
1-[3-bromo-4-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626299
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939151
1-[3-bromo-4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 63158863
(1S)-1-[3-bromo-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941089
7-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091966
1-[4-(azepan-1-yl)-3-bromophenyl]ethanol
CID 62907818
(1S)-1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940984
(1R)-1-[3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
CID 104921365

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol (CID 55216775) is (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol is CCN1CCN(c2ccc([C@@H](C)O)cc2Br)CC1C.
What is the InChIKey of (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is SAJPLVGWHNISQY-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-17-7-8-18(10-11(17)2)15-6-5-13(12(3)19)9-14(15)16/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol?
(1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol has a molecular weight of 327.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 55216775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).