4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine

C15H22Cl2N2 — CID 10518371

IUPAC4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine
SMILESCC(CCl)CN1CCN(c2cccc(Cl)c2)C(C)C1
InChIInChI=1S/C15H22Cl2N2/c1-12(9-16)10-18-6-7-19(13(2)11-18)15-5-3-4-14(17)8-15/h3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyZBFLGSWVTIXIAL-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.73
Rot. Bonds4

About 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine

4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine (PubChem CID 10518371) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine
PubChem CID10518371
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine
SMILESCC(CCl)CN1CCN(c2cccc(Cl)c2)C(C)C1
InChIInChI=1S/C15H22Cl2N2/c1-12(9-16)10-18-6-7-19(13(2)11-18)15-5-3-4-14(17)8-15/h3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyZBFLGSWVTIXIAL-UHFFFAOYSA-N
XLogP3.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 83977772
[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 172718678
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
tert-butyl (3R)-4-(3-chlorophenyl)-3-methylpiperazine-1-carboxylate
CID 150433526
5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine
CID 150274574
2-[4-[3-(aminomethyl)phenyl]-3-methylpiperazin-1-yl]acetamide
CID 174464780
(4-chloro-2-methylphenyl)-[(2S)-4-[(2R)-2-hydroxypropyl]-2-methylpiperazin-1-yl]methanone
CID 129403032
5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
CID 64936927
(3R)-7-hydroxy-N-[(2S)-1-[(3R)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;trihydrochloride
CID 71682006
1-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 171999652
4-[2-[2-chloro-4-[(3S)-4-(3-chlorophenyl)-3-methylpiperazine-1-carbonyl]phenyl]sulfanylacetyl]benzonitrile
CID 166723743

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine?
The IUPAC name of 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine (CID 10518371) is 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine.
What is the SMILES notation for 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine?
The canonical SMILES for 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine is CC(CCl)CN1CCN(c2cccc(Cl)c2)C(C)C1.
What is the InChIKey of 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine?
The InChIKey is ZBFLGSWVTIXIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-12(9-16)10-18-6-7-19(13(2)11-18)15-5-3-4-14(17)8-15/h3-5,8,12-13H,6-7,9-11H2,1-2H3.
What are the key properties of 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine?
4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine has a molecular weight of 301.26 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylpropyl)-1-(3-chlorophenyl)-2-methylpiperazine is sourced from PubChem (CID 10518371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).