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

Related Compounds

2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine
CID 107310522
1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 114860665
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64860320
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64862053
1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 64862217
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
5-cyclopropyl-2-ethyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
CID 106261608
1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 103050837
1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine
CID 64979055
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
CID 64859717

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).