(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine

C11H14Cl2N2 — CID 24763526

IUPAC(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine
SMILESC[C@H]1CN(c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C11H14Cl2N2/c1-8-7-15(5-4-14-8)11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyAQATZDCZCOURPA-QMMMGPOBSA-N
MW245.15 g/mol
LogP2.79
Rot. Bonds1

About (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine

(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine (PubChem CID 24763526) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine
PubChem CID24763526
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine
SMILESC[C@H]1CN(c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C11H14Cl2N2/c1-8-7-15(5-4-14-8)11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyAQATZDCZCOURPA-QMMMGPOBSA-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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Related Compounds

(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099
4-chloro-2-[(3R)-3-methylpiperazin-1-yl]aniline
CID 21034047
3-tert-butyl-1-(2,4-dichlorophenyl)piperazine
CID 64925260
1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine
CID 138530462
(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine
CID 7070876
3-chloro-4-(3-methylpiperazin-1-yl)benzamide
CID 65449432
7-chloro-4-(3-methylpiperazin-1-yl)quinoline
CID 21101961
(3R)-1-(3-chlorophenyl)-3-methylpiperazine
CID 10822374
1-(2,3-dichlorophenyl)-3-methylpiperazine
CID 62670055
(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine
CID 94544786
1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine
CID 81271640
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine?
The IUPAC name of (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine (CID 24763526) is (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine.
What is the SMILES notation for (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine?
The canonical SMILES for (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine is C[C@H]1CN(c2ccc(Cl)cc2Cl)CCN1.
What is the InChIKey of (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine?
The InChIKey is AQATZDCZCOURPA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-8-7-15(5-4-14-8)11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine?
(3S)-1-(2,4-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 (3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine is sourced from PubChem (CID 24763526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).