(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine

C11H14Cl2N2 — CID 94544786

IUPAC(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C11H14Cl2N2/c1-8-7-15(6-5-14-8)10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7H2,1H3/t8-/m1/s1
InChIKeyDILVFVYWWVIFBI-MRVPVSSYSA-N
MW245.15 g/mol
LogP2.79
Rot. Bonds1

About (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine

(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine (PubChem CID 94544786) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine
PubChem CID94544786
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C11H14Cl2N2/c1-8-7-15(6-5-14-8)10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7H2,1H3/t8-/m1/s1
InChIKeyDILVFVYWWVIFBI-MRVPVSSYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine (CID 94544786) is (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine is C[C@@H]1CN(c2cccc(Cl)c2Cl)CCN1.
What is the InChIKey of (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine?
The InChIKey is DILVFVYWWVIFBI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-8-7-15(6-5-14-8)10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine?
(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine has a molecular weight of 245.15 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine is sourced from PubChem (CID 94544786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).