3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine

C14H18Cl2N2 — CID 64924869

IUPAC3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine
SMILESCC1(C2CC2)CN(c2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C14H18Cl2N2/c1-14(10-2-3-10)9-18(7-6-17-14)13-8-11(15)4-5-12(13)16/h4-5,8,10,17H,2-3,6-7,9H2,1H3
InChIKeySOOVDRKANOGKRL-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.57
Rot. Bonds2

About 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine

3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine (PubChem CID 64924869) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine
PubChem CID64924869
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine
SMILESCC1(C2CC2)CN(c2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C14H18Cl2N2/c1-14(10-2-3-10)9-18(7-6-17-14)13-8-11(15)4-5-12(13)16/h4-5,8,10,17H,2-3,6-7,9H2,1H3
InChIKeySOOVDRKANOGKRL-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine (CID 64924869) is 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine is CC1(C2CC2)CN(c2cc(Cl)ccc2Cl)CCN1.
What is the InChIKey of 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine?
The InChIKey is SOOVDRKANOGKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-14(10-2-3-10)9-18(7-6-17-14)13-8-11(15)4-5-12(13)16/h4-5,8,10,17H,2-3,6-7,9H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine?
3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine has a molecular weight of 285.22 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine is sourced from PubChem (CID 64924869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).