1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine

C16H26N2 — CID 45366485

IUPAC1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
SMILESCc1cccc(CN2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C16H26N2/c1-14(2)12-17-7-9-18(10-8-17)13-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3
InChIKeyQPBSKRCUQQJYMP-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.77
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine

1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine (PubChem CID 45366485) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
PubChem CID45366485
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
SMILESCc1cccc(CN2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C16H26N2/c1-14(2)12-17-7-9-18(10-8-17)13-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3
InChIKeyQPBSKRCUQQJYMP-UHFFFAOYSA-N
XLogP2.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 62777259
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 3817099
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60647650
1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
CID 175322181
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
1-[(3-methylphenyl)methyl]-4-(3-methylsulfanylbutyl)piperazine
CID 56889495
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 56881830
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine (CID 45366485) is 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine is Cc1cccc(CN2CCN(CC(C)C)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine?
The InChIKey is QPBSKRCUQQJYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)12-17-7-9-18(10-8-17)13-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine?
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 45366485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).