1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine

C18H25N3 — CID 118548972

IUPAC1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine
SMILESCC1=CC(c2cccc(CN3CCN(C)CC3)c2)=CNC1
InChIInChI=1S/C18H25N3/c1-15-10-18(13-19-12-15)17-5-3-4-16(11-17)14-21-8-6-20(2)7-9-21/h3-5,10-11,13,19H,6-9,12,14H2,1-2H3
InChIKeyUAJCQDVMDHYCAN-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.32
Rot. Bonds3

About 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine

1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine (PubChem CID 118548972) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine
PubChem CID118548972
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine
SMILESCC1=CC(c2cccc(CN3CCN(C)CC3)c2)=CNC1
InChIInChI=1S/C18H25N3/c1-15-10-18(13-19-12-15)17-5-3-4-16(11-17)14-21-8-6-20(2)7-9-21/h3-5,10-11,13,19H,6-9,12,14H2,1-2H3
InChIKeyUAJCQDVMDHYCAN-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
2-methyl-2-[4-[[3-(5-methyl-1,2-dihydropyridin-3-yl)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 118548995
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine
CID 39219874
methanidyl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium
CID 58832495
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-4-carboxylic acid
CID 39219895
2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanethioamide
CID 82135769

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine (CID 118548972) is 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine is CC1=CC(c2cccc(CN3CCN(C)CC3)c2)=CNC1.
What is the InChIKey of 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine?
The InChIKey is UAJCQDVMDHYCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15-10-18(13-19-12-15)17-5-3-4-16(11-17)14-21-8-6-20(2)7-9-21/h3-5,10-11,13,19H,6-9,12,14H2,1-2H3.
What are the key properties of 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine?
1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine has a molecular weight of 283.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(3-methyl-1,2-dihydropyridin-5-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 118548972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).