1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine

C19H32N2 — CID 64849507

IUPAC1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCc1ccccc1CN1CC(CC(C)C)NCC1C(C)C
InChIInChI=1S/C19H32N2/c1-14(2)10-18-13-21(19(11-20-18)15(3)4)12-17-9-7-6-8-16(17)5/h6-9,14-15,18-20H,10-13H2,1-5H3
InChIKeyFKOBFWAIERHISF-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.84
Rot. Bonds5

About 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine

1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine (PubChem CID 64849507) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
PubChem CID64849507
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCc1ccccc1CN1CC(CC(C)C)NCC1C(C)C
InChIInChI=1S/C19H32N2/c1-14(2)10-18-13-21(19(11-20-18)15(3)4)12-17-9-7-6-8-16(17)5/h6-9,14-15,18-20H,10-13H2,1-5H3
InChIKeyFKOBFWAIERHISF-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64940136
5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 64849123
3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole
CID 79231922
1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846874
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104812478
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848157
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64831533
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807
5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 64861840
[1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazin-2-yl]methanol
CID 82246452
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine (CID 64849507) is 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine is Cc1ccccc1CN1CC(CC(C)C)NCC1C(C)C.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is FKOBFWAIERHISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14(2)10-18-13-21(19(11-20-18)15(3)4)12-17-9-7-6-8-16(17)5/h6-9,14-15,18-20H,10-13H2,1-5H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64849507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).