1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol

C17H20BrN3O — CID 137407156

IUPAC1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cn1
InChIInChI=1S/C17H20BrN3O/c1-13(22)17-7-6-16(12-19-17)21-10-8-20(9-11-21)15-4-2-14(18)3-5-15/h2-7,12-13,22H,8-11H2,1H3
InChIKeySWXVFQRCTBFHPP-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.22
Rot. Bonds3

About 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol

1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol (PubChem CID 137407156) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
PubChem CID137407156
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cn1
InChIInChI=1S/C17H20BrN3O/c1-13(22)17-7-6-16(12-19-17)21-10-8-20(9-11-21)15-4-2-14(18)3-5-15/h2-7,12-13,22H,8-11H2,1H3
InChIKeySWXVFQRCTBFHPP-UHFFFAOYSA-N
XLogP3.22
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol (CID 137407156) is 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol is CC(O)c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cn1.
What is the InChIKey of 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol?
The InChIKey is SWXVFQRCTBFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-13(22)17-7-6-16(12-19-17)21-10-8-20(9-11-21)15-4-2-14(18)3-5-15/h2-7,12-13,22H,8-11H2,1H3.
What are the key properties of 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol?
1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol has a molecular weight of 362.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 137407156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).