1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol

C18H21BrN2O — CID 137407146

IUPAC1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H21BrN2O/c1-14(22)15-2-6-17(7-3-15)20-10-12-21(13-11-20)18-8-4-16(19)5-9-18/h2-9,14,22H,10-13H2,1H3
InChIKeyCWOADQYUGCGJOJ-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.83
Rot. Bonds3

About 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol

1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol (PubChem CID 137407146) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
PubChem CID137407146
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H21BrN2O/c1-14(22)15-2-6-17(7-3-15)20-10-12-21(13-11-20)18-8-4-16(19)5-9-18/h2-9,14,22H,10-13H2,1H3
InChIKeyCWOADQYUGCGJOJ-UHFFFAOYSA-N
XLogP3.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 62777793
1-(4-bromophenyl)-4-(4-propan-2-ylphenyl)piperazine;buta-1,3-diene
CID 142044878
1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
CID 137407156
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol
CID 130617448
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941068
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
1-[4-(1,4-thiazepan-4-yl)phenyl]ethanol
CID 61419671
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol?
The IUPAC name of 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol (CID 137407146) is 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol is CC(O)c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol?
The InChIKey is CWOADQYUGCGJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-14(22)15-2-6-17(7-3-15)20-10-12-21(13-11-20)18-8-4-16(19)5-9-18/h2-9,14,22H,10-13H2,1H3.
What are the key properties of 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol?
1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol has a molecular weight of 361.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol is sourced from PubChem (CID 137407146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).