1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine

C16H26N2 — CID 153025858

IUPAC1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine
SMILESCc1cc(C(C)C)ccc1CN1CCN(C)CC1
InChIInChI=1S/C16H26N2/c1-13(2)15-5-6-16(14(3)11-15)12-18-9-7-17(4)8-10-18/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyVCVOPLRVKRGTKD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.87
Rot. Bonds3

About 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine

1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 153025858) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine
PubChem CID153025858
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine
SMILESCc1cc(C(C)C)ccc1CN1CCN(C)CC1
InChIInChI=1S/C16H26N2/c1-13(2)15-5-6-16(14(3)11-15)12-18-9-7-17(4)8-10-18/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyVCVOPLRVKRGTKD-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
CID 123373563
1-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 123976437
1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine
CID 123946269
3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 114481685
1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine
CID 145147205
1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 142321618
1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine
CID 134550465
1-[[4-butan-2-yl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine
CID 152876391
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
1-[(2-methyl-5-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 82498363
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine (CID 153025858) is 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine is Cc1cc(C(C)C)ccc1CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is VCVOPLRVKRGTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-5-6-16(14(3)11-15)12-18-9-7-17(4)8-10-18/h5-6,11,13H,7-10,12H2,1-4H3.
What are the key properties of 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine?
1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 153025858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).