(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

C14H19ClN2O2 — CID 63621212

IUPAC(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Cl)cc2O)CC1C
InChIInChI=1S/C14H19ClN2O2/c1-3-16-6-7-17(9-10(16)2)14(19)12-5-4-11(15)8-13(12)18/h4-5,8,10,18H,3,6-7,9H2,1-2H3
InChIKeyUVQUPGCJWTZRLA-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.21
Rot. Bonds2

About (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 63621212) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID63621212
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Cl)cc2O)CC1C
InChIInChI=1S/C14H19ClN2O2/c1-3-16-6-7-17(9-10(16)2)14(19)12-5-4-11(15)8-13(12)18/h4-5,8,10,18H,3,6-7,9H2,1-2H3
InChIKeyUVQUPGCJWTZRLA-UHFFFAOYSA-N
XLogP2.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(5-chloro-2-nitrophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63634656
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
2-(4-chloro-2-hydroxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863557
(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 104918307
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 63621212) is (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(Cl)cc2O)CC1C.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is UVQUPGCJWTZRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-16-6-7-17(9-10(16)2)14(19)12-5-4-11(15)8-13(12)18/h4-5,8,10,18H,3,6-7,9H2,1-2H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63621212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).