1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine

C19H24N2 — CID 70325548

IUPAC1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
SMILESCc1cccc(-c2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C19H24N2/c1-16-4-3-5-19(14-16)18-8-6-17(7-9-18)15-21-12-10-20(2)11-13-21/h3-9,14H,10-13,15H2,1-2H3
InChIKeyDPQHAFPAFNQOQL-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.41
Rot. Bonds3

About 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine

1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine (PubChem CID 70325548) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
PubChem CID70325548
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
SMILESCc1cccc(-c2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C19H24N2/c1-16-4-3-5-19(14-16)18-8-6-17(7-9-18)15-21-12-10-20(2)11-13-21/h3-9,14H,10-13,15H2,1-2H3
InChIKeyDPQHAFPAFNQOQL-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine
CID 123946269
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
1-[[4-(4-ethylphenyl)phenyl]methyl]-4-methyl-1,4-diazepane;bis(1-methyl-4-[[4-(4-methylphenyl)phenyl]methyl]-1,4-diazepane)
CID 158603186
1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
CID 123373563
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135091088
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine
CID 42851810

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine (CID 70325548) is 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine is Cc1cccc(-c2ccc(CN3CCN(C)CC3)cc2)c1.
What is the InChIKey of 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine?
The InChIKey is DPQHAFPAFNQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-4-3-5-19(14-16)18-8-6-17(7-9-18)15-21-12-10-20(2)11-13-21/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine?
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine has a molecular weight of 280.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine is sourced from PubChem (CID 70325548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).