5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine

C17H24Cl2N2 — CID 64859717

IUPAC5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2/c1-2-3-14-9-20-17(13-5-6-13)11-21(14)10-12-4-7-15(18)16(19)8-12/h4,7-8,13-14,17,20H,2-3,5-6,9-11H2,1H3
InChIKeyHKOWMNGJBQBYMI-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.35
Rot. Bonds5

About 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine

5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine (PubChem CID 64859717) has the molecular formula C17H24Cl2N2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
PubChem CID64859717
Molecular FormulaC17H24Cl2N2
Molecular Weight327.30 g/mol
Exact Mass326.13
IUPAC Name5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2/c1-2-3-14-9-20-17(13-5-6-13)11-21(14)10-12-4-7-15(18)16(19)8-12/h4,7-8,13-14,17,20H,2-3,5-6,9-11H2,1H3
InChIKeyHKOWMNGJBQBYMI-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine (CID 64859717) is 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine is CCCC1CNC(C2CC2)CN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine?
The InChIKey is HKOWMNGJBQBYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2/c1-2-3-14-9-20-17(13-5-6-13)11-21(14)10-12-4-7-15(18)16(19)8-12/h4,7-8,13-14,17,20H,2-3,5-6,9-11H2,1H3.
What are the key properties of 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine?
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine has a molecular weight of 327.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine is sourced from PubChem (CID 64859717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).