(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

C13H17ClN2O2 — CID 63910775

IUPAC(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H17ClN2O2/c1-8-6-15-7-9(2)16(8)13(18)11-4-3-10(14)5-12(11)17/h3-5,8-9,15,17H,6-7H2,1-2H3
InChIKeyWQLZFQMJRMNBBP-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.87
Rot. Bonds1

About (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 63910775) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID63910775
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H17ClN2O2/c1-8-6-15-7-9(2)16(8)13(18)11-4-3-10(14)5-12(11)17/h3-5,8-9,15,17H,6-7H2,1-2H3
InChIKeyWQLZFQMJRMNBBP-UHFFFAOYSA-N
XLogP1.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (CID 63910775) is (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is CC1CNCC(C)N1C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is WQLZFQMJRMNBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-6-15-7-9(2)16(8)13(18)11-4-3-10(14)5-12(11)17/h3-5,8-9,15,17H,6-7H2,1-2H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63910775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).