(1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol

C15H20N4O — CID 58996635

IUPAC(1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol
SMILESCn1ccnc1C(O)c1ccccc1N1CCNCC1
InChIInChI=1S/C15H20N4O/c1-18-9-8-17-15(18)14(20)12-4-2-3-5-13(12)19-10-6-16-7-11-19/h2-5,8-9,14,16,20H,6-7,10-11H2,1H3
InChIKeyDZSIXKSTPMAVGX-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.91
Rot. Bonds3

About (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol

(1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol (PubChem CID 58996635) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol
PubChem CID58996635
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol
SMILESCn1ccnc1C(O)c1ccccc1N1CCNCC1
InChIInChI=1S/C15H20N4O/c1-18-9-8-17-15(18)14(20)12-4-2-3-5-13(12)19-10-6-16-7-11-19/h2-5,8-9,14,16,20H,6-7,10-11H2,1H3
InChIKeyDZSIXKSTPMAVGX-UHFFFAOYSA-N
XLogP0.91
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol (CID 58996635) is (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol is Cn1ccnc1C(O)c1ccccc1N1CCNCC1.
What is the InChIKey of (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol?
The InChIKey is DZSIXKSTPMAVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-9-8-17-15(18)14(20)12-4-2-3-5-13(12)19-10-6-16-7-11-19/h2-5,8-9,14,16,20H,6-7,10-11H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol?
(1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol has a molecular weight of 272.35 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol is sourced from PubChem (CID 58996635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).