2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine

C19H32N2 — CID 64940204

IUPAC2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
SMILESCC(C)CC1CN(CCC(C)c2ccccc2)C(C)CN1
InChIInChI=1S/C19H32N2/c1-15(2)12-19-14-21(17(4)13-20-19)11-10-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14H2,1-4H3
InChIKeyXTMPHSWPRAQCEC-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.89
Rot. Bonds6

About 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine

2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine (PubChem CID 64940204) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
PubChem CID64940204
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
SMILESCC(C)CC1CN(CCC(C)c2ccccc2)C(C)CN1
InChIInChI=1S/C19H32N2/c1-15(2)12-19-14-21(17(4)13-20-19)11-10-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14H2,1-4H3
InChIKeyXTMPHSWPRAQCEC-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 116790807
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 106261615
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64940136
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64843790
1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64932402
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 107854191
2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine
CID 107646391
2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64841669
2-cyclopropyl-5-(2-methylpropyl)-1-(2-phenylethyl)piperazine
CID 64849130
2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64939823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine (CID 64940204) is 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine is CC(C)CC1CN(CCC(C)c2ccccc2)C(C)CN1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine?
The InChIKey is XTMPHSWPRAQCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)12-19-14-21(17(4)13-20-19)11-10-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine?
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine has a molecular weight of 288.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine is sourced from PubChem (CID 64940204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).