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

C18H30N2 — CID 64845965

IUPAC5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1CCCc1ccccc1
InChIInChI=1S/C18H30N2/c1-15(2)12-18-13-19-16(3)14-20(18)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19H,7,10-14H2,1-3H3
InChIKeyXPECTFUMFPKFSG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds6

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

5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine (PubChem CID 64845965) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
PubChem CID64845965
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1CCCc1ccccc1
InChIInChI=1S/C18H30N2/c1-15(2)12-18-13-19-16(3)14-20(18)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19H,7,10-14H2,1-3H3
InChIKeyXPECTFUMFPKFSG-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915
2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine
CID 114334917
1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845583
2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine
CID 64878424
1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine
CID 81113963
5-methyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine
CID 64845781
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine
CID 64847819
1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 64845397
5-methyl-2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)piperazine
CID 82247109
2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
CID 82246267
1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 82251756

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine?
The IUPAC name of 5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine (CID 64845965) is 5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine is CC(C)CC1CNC(C)CN1CCCc1ccccc1.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine?
The InChIKey is XPECTFUMFPKFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)12-18-13-19-16(3)14-20(18)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19H,7,10-14H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine?
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine is sourced from PubChem (CID 64845965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).