1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine

C19H32N2 — CID 64847619

IUPAC1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
SMILESCCCCN1CC(CC(C)C)NCC1(C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-5-6-12-21-14-18(13-16(2)3)20-15-19(21,4)17-10-8-7-9-11-17/h7-11,16,18,20H,5-6,12-15H2,1-4H3
InChIKeyHMIDMQKTJBJNEV-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds6

About 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine

1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine (PubChem CID 64847619) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine.

Molecular Properties

Compound Name1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
PubChem CID64847619
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
SMILESCCCCN1CC(CC(C)C)NCC1(C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-5-6-12-21-14-18(13-16(2)3)20-15-19(21,4)17-10-8-7-9-11-17/h7-11,16,18,20H,5-6,12-15H2,1-4H3
InChIKeyHMIDMQKTJBJNEV-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-1-pentyl-2-phenylpiperazine
CID 64845156
2-methyl-1-(2-methylpropyl)-2-phenyl-5-propylpiperazine
CID 64838442
1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine
CID 81113703
2,5-dimethyl-1-(2-methylpropyl)-2-phenylpiperazine
CID 64843969
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine
CID 80697269
1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine
CID 64846932
5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine
CID 80696880
1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine
CID 104650161
2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518790
2-cyclopropyl-1-hexyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64849739
2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine
CID 64844166

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine?
The IUPAC name of 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine (CID 64847619) is 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine.
What is the SMILES notation for 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine?
The canonical SMILES for 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine is CCCCN1CC(CC(C)C)NCC1(C)c1ccccc1.
What is the InChIKey of 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine?
The InChIKey is HMIDMQKTJBJNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-6-12-21-14-18(13-16(2)3)20-15-19(21,4)17-10-8-7-9-11-17/h7-11,16,18,20H,5-6,12-15H2,1-4H3.
What are the key properties of 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine?
1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine is sourced from PubChem (CID 64847619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).