5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine

C16H22Cl2N2 — CID 107310519

IUPAC5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
SMILESCCC1CNC(C2CC2)CN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H22Cl2N2/c1-2-13-8-19-15(11-6-7-11)10-20(13)9-12-4-3-5-14(17)16(12)18/h3-5,11,13,15,19H,2,6-10H2,1H3
InChIKeyVNZNUOSOXWBLSI-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.96
Rot. Bonds4

About 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine

5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine (PubChem CID 107310519) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
PubChem CID107310519
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
SMILESCCC1CNC(C2CC2)CN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H22Cl2N2/c1-2-13-8-19-15(11-6-7-11)10-20(13)9-12-4-3-5-14(17)16(12)18/h3-5,11,13,15,19H,2,6-10H2,1H3
InChIKeyVNZNUOSOXWBLSI-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine 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 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine (CID 107310519) is 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine is CCC1CNC(C2CC2)CN1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine?
The InChIKey is VNZNUOSOXWBLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c1-2-13-8-19-15(11-6-7-11)10-20(13)9-12-4-3-5-14(17)16(12)18/h3-5,11,13,15,19H,2,6-10H2,1H3.
What are the key properties of 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine?
5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine has a molecular weight of 313.27 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine is sourced from PubChem (CID 107310519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).