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

C16H26N2 — CID 82295520

IUPAC1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
SMILESCc1cccc(CCC(C)(C)N2CCNCC2)c1
InChIInChI=1S/C16H26N2/c1-14-5-4-6-15(13-14)7-8-16(2,3)18-11-9-17-10-12-18/h4-6,13,17H,7-12H2,1-3H3
InChIKeyGSFUYKSFBRHMLE-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.61
Rot. Bonds4

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

1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine (PubChem CID 82295520) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
PubChem CID82295520
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
SMILESCc1cccc(CCC(C)(C)N2CCNCC2)c1
InChIInChI=1S/C16H26N2/c1-14-5-4-6-15(13-14)7-8-16(2,3)18-11-9-17-10-12-18/h4-6,13,17H,7-12H2,1-3H3
InChIKeyGSFUYKSFBRHMLE-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
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N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 80547402
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
CID 95477555
1-(3,3-difluorobutyl)-3-methylbenzene
CID 169204430
1-[2-methyl-4-(1H-pyrrol-2-yl)butan-2-yl]piperazine
CID 116931984
1-[2-methyl-4-(1H-pyrrol-3-yl)butan-2-yl]-1,4-diazepane
CID 82476278
1-[[3-(3,3-dimethylbutyl)phenyl]methyl]-3-[(3-methylphenyl)methyl]benzene
CID 140940309
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551034
2,2-dimethyl-4-(3-methylphenyl)butanoic acid
CID 69050886
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine?
The IUPAC name of 1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine (CID 82295520) is 1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine is Cc1cccc(CCC(C)(C)N2CCNCC2)c1.
What is the InChIKey of 1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine?
The InChIKey is GSFUYKSFBRHMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-5-4-6-15(13-14)7-8-16(2,3)18-11-9-17-10-12-18/h4-6,13,17H,7-12H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine?
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine is sourced from PubChem (CID 82295520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).