1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine

C17H18Cl2N2 — CID 64935055

IUPAC1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c1-12-10-20-17(13-5-3-2-4-6-13)11-21(12)14-7-8-15(18)16(19)9-14/h2-9,12,17,20H,10-11H2,1H3
InChIKeyNXZWOJFKANBXGR-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.53
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine

1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine (PubChem CID 64935055) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine
PubChem CID64935055
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c1-12-10-20-17(13-5-3-2-4-6-13)11-21(12)14-7-8-15(18)16(19)9-14/h2-9,12,17,20H,10-11H2,1H3
InChIKeyNXZWOJFKANBXGR-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine
CID 64934541
5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine
CID 107590217
1-(4-ethylphenyl)-2-methyl-5-phenylpiperazine
CID 64931217
1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
CID 64938465
1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
CID 64933320
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine
CID 107617341
1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine
CID 79760884
1-(3,4-dichlorophenyl)-2-phenylpiperazine
CID 64939175
(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
CID 169115914
7-(3,4-dichlorophenyl)-7,9-diazabicyclo[4.2.2]dec-3-ene
CID 69233405

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine (CID 64935055) is 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine is CC1CNC(c2ccccc2)CN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine?
The InChIKey is NXZWOJFKANBXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-12-10-20-17(13-5-3-2-4-6-13)11-21(12)14-7-8-15(18)16(19)9-14/h2-9,12,17,20H,10-11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine?
1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine has a molecular weight of 321.25 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 64935055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).