(2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone

C17H24Cl2N2O2 — CID 91836240

IUPAC(2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1CCO
InChIInChI=1S/C17H24Cl2N2O2/c1-12(2)10-20-7-8-21(11-13(20)6-9-22)17(23)14-4-3-5-15(18)16(14)19/h3-5,12-13,22H,6-11H2,1-2H3
InChIKeyRHEOSOASVSGQLI-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.16
Rot. Bonds5

About (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 91836240) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID91836240
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name(2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1CCO
InChIInChI=1S/C17H24Cl2N2O2/c1-12(2)10-20-7-8-21(11-13(20)6-9-22)17(23)14-4-3-5-15(18)16(14)19/h3-5,12-13,22H,6-11H2,1-2H3
InChIKeyRHEOSOASVSGQLI-UHFFFAOYSA-N
XLogP3.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone (CID 91836240) is (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1CCO.
What is the InChIKey of (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is RHEOSOASVSGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-12(2)10-20-7-8-21(11-13(20)6-9-22)17(23)14-4-3-5-15(18)16(14)19/h3-5,12-13,22H,6-11H2,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 359.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91836240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).