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

C16H23ClN2O2 — CID 70770911

IUPAC(4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Cl)cc2O)CCN1C(C)C
InChIInChI=1S/C16H23ClN2O2/c1-4-13-10-18(7-8-19(13)11(2)3)16(21)14-6-5-12(17)9-15(14)20/h5-6,9,11,13,20H,4,7-8,10H2,1-3H3
InChIKeyJJVDOZJPUZIHNT-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.99
Rot. Bonds3

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

(4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 70770911) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID70770911
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name(4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Cl)cc2O)CCN1C(C)C
InChIInChI=1S/C16H23ClN2O2/c1-4-13-10-18(7-8-19(13)11(2)3)16(21)14-6-5-12(17)9-15(14)20/h5-6,9,11,13,20H,4,7-8,10H2,1-3H3
InChIKeyJJVDOZJPUZIHNT-UHFFFAOYSA-N
XLogP2.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (CID 70770911) is (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2ccc(Cl)cc2O)CCN1C(C)C.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is JJVDOZJPUZIHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-13-10-18(7-8-19(13)11(2)3)16(21)14-6-5-12(17)9-15(14)20/h5-6,9,11,13,20H,4,7-8,10H2,1-3H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 310.82 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 70770911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).