(5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone

C12H15ClN2O2 — CID 4608968

IUPAC(5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C12H15ClN2O2/c1-14-4-6-15(7-5-14)12(17)10-8-9(13)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3
InChIKeyLYUUKERJYOKBBC-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.43
Rot. Bonds1

About (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone

(5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 4608968) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID4608968
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C12H15ClN2O2/c1-14-4-6-15(7-5-14)12(17)10-8-9(13)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3
InChIKeyLYUUKERJYOKBBC-UHFFFAOYSA-N
XLogP1.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone (CID 4608968) is (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LYUUKERJYOKBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-14-4-6-15(7-5-14)12(17)10-8-9(13)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4608968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).