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

C17H19ClN2O — CID 28945701

IUPAC[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-2-1-3-17(12-15)20-10-8-19(9-11-20)16-6-4-14(13-21)5-7-16/h1-7,12,21H,8-11,13H2
InChIKeyMXYHFOZXERERET-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.16
Rot. Bonds3

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

[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol (PubChem CID 28945701) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol
PubChem CID28945701
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-2-1-3-17(12-15)20-10-8-19(9-11-20)16-6-4-14(13-21)5-7-16/h1-7,12,21H,8-11,13H2
InChIKeyMXYHFOZXERERET-UHFFFAOYSA-N
XLogP3.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol?
The IUPAC name of [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol (CID 28945701) is [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol?
The canonical SMILES for [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol is OCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol?
The InChIKey is MXYHFOZXERERET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-2-1-3-17(12-15)20-10-8-19(9-11-20)16-6-4-14(13-21)5-7-16/h1-7,12,21H,8-11,13H2.
What are the key properties of [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol?
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol has a molecular weight of 302.81 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanol is sourced from PubChem (CID 28945701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).