1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine

C18H20Cl2N2 — CID 174744693

IUPAC1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2cccc(Cc3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C18H20Cl2N2/c1-21-8-10-22(11-9-21)15-5-2-4-14(12-15)13-16-17(19)6-3-7-18(16)20/h2-7,12H,8-11,13H2,1H3
InChIKeyRQJGNUWBFAWCGV-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.34
Rot. Bonds3

About 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine

1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine (PubChem CID 174744693) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine
PubChem CID174744693
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2cccc(Cc3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C18H20Cl2N2/c1-21-8-10-22(11-9-21)15-5-2-4-14(12-15)13-16-17(19)6-3-7-18(16)20/h2-7,12H,8-11,13H2,1H3
InChIKeyRQJGNUWBFAWCGV-UHFFFAOYSA-N
XLogP4.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
1-[3-[(4-tert-butylphenyl)methyl]phenyl]-4-methylpiperazine
CID 174744546
2-[3-(4-methylpiperazin-1-yl)phenyl]acetonitrile
CID 68945856
1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117368545
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
2,2-dimethyl-3-[3-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117442861
2-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117410747
1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174765758
1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
CID 43281338
1-(3-ethenylphenyl)-4-methylpiperazine
CID 123546085
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62945829

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine (CID 174744693) is 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine is CN1CCN(c2cccc(Cc3c(Cl)cccc3Cl)c2)CC1.
What is the InChIKey of 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine?
The InChIKey is RQJGNUWBFAWCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c1-21-8-10-22(11-9-21)15-5-2-4-14(12-15)13-16-17(19)6-3-7-18(16)20/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine?
1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine has a molecular weight of 335.28 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 174744693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).