1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine

C19H28N4 — CID 56881830

IUPAC1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3nccn3C(C)C)CC2)c1
InChIInChI=1S/C19H28N4/c1-16(2)23-8-7-20-19(23)15-22-11-9-21(10-12-22)14-18-6-4-5-17(3)13-18/h4-8,13,16H,9-12,14-15H2,1-3H3
InChIKeyWEUNMHHODQAZAC-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.09
Rot. Bonds5

About 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine

1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine (PubChem CID 56881830) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
PubChem CID56881830
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3nccn3C(C)C)CC2)c1
InChIInChI=1S/C19H28N4/c1-16(2)23-8-7-20-19(23)15-22-11-9-21(10-12-22)14-18-6-4-5-17(3)13-18/h4-8,13,16H,9-12,14-15H2,1-3H3
InChIKeyWEUNMHHODQAZAC-UHFFFAOYSA-N
XLogP3.09
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
CID 90494036
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60647650
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
1-[(3-methylphenyl)methyl]-4-(3-methylsulfanylbutyl)piperazine
CID 56889495
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220751
1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 34127088
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine (CID 56881830) is 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine is Cc1cccc(CN2CCN(Cc3nccn3C(C)C)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
The InChIKey is WEUNMHHODQAZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-16(2)23-8-7-20-19(23)15-22-11-9-21(10-12-22)14-18-6-4-5-17(3)13-18/h4-8,13,16H,9-12,14-15H2,1-3H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine has a molecular weight of 312.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 56881830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).