2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine

C17H22Cl2N2 — CID 107310522

IUPAC2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(CN2CC(C3CC3)NCC2C2CC2)c1Cl
InChIInChI=1S/C17H22Cl2N2/c18-14-3-1-2-13(17(14)19)9-21-10-15(11-4-5-11)20-8-16(21)12-6-7-12/h1-3,11-12,15-16,20H,4-10H2
InChIKeyOGIATKYIHURFIA-UHFFFAOYSA-N
MW325.28 g/mol
LogP3.96
Rot. Bonds4

About 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine

2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine (PubChem CID 107310522) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine
PubChem CID107310522
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC Name2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(CN2CC(C3CC3)NCC2C2CC2)c1Cl
InChIInChI=1S/C17H22Cl2N2/c18-14-3-1-2-13(17(14)19)9-21-10-15(11-4-5-11)20-8-16(21)12-6-7-12/h1-3,11-12,15-16,20H,4-10H2
InChIKeyOGIATKYIHURFIA-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine?
The IUPAC name of 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine (CID 107310522) is 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine is Clc1cccc(CN2CC(C3CC3)NCC2C2CC2)c1Cl.
What is the InChIKey of 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine?
The InChIKey is OGIATKYIHURFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2/c18-14-3-1-2-13(17(14)19)9-21-10-15(11-4-5-11)20-8-16(21)12-6-7-12/h1-3,11-12,15-16,20H,4-10H2.
What are the key properties of 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine?
2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine has a molecular weight of 325.28 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 2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 107310522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).