[4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol

C21H21ClN4O — CID 6482730

IUPAC[4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C21H21ClN4O/c22-18-2-1-3-19(12-18)25-8-10-26(11-9-25)21-14-23-13-20(24-21)17-6-4-16(15-27)5-7-17/h1-7,12-14,27H,8-11,15H2
InChIKeyIAPIHLGZVTUVRA-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.62
Rot. Bonds4

About [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol

[4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol (PubChem CID 6482730) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
PubChem CID6482730
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name[4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C21H21ClN4O/c22-18-2-1-3-19(12-18)25-8-10-26(11-9-25)21-14-23-13-20(24-21)17-6-4-16(15-27)5-7-17/h1-7,12-14,27H,8-11,15H2
InChIKeyIAPIHLGZVTUVRA-UHFFFAOYSA-N
XLogP3.62
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol (CID 6482730) is [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol is OCc1ccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1.
What is the InChIKey of [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol?
The InChIKey is IAPIHLGZVTUVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-18-2-1-3-19(12-18)25-8-10-26(11-9-25)21-14-23-13-20(24-21)17-6-4-16(15-27)5-7-17/h1-7,12-14,27H,8-11,15H2.
What are the key properties of [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol?
[4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol has a molecular weight of 380.88 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 6482730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).