1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine

C19H32N2 — CID 79446777

IUPAC1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine
SMILESCCC(C)C1CN(C(C)CC)C(C)(c2ccccc2)CN1
InChIInChI=1S/C19H32N2/c1-6-15(3)18-13-21(16(4)7-2)19(5,14-20-18)17-11-9-8-10-12-17/h8-12,15-16,18,20H,6-7,13-14H2,1-5H3
InChIKeyJDNVEGSWDVSYQZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds5

About 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine

1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine (PubChem CID 79446777) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine
PubChem CID79446777
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine
SMILESCCC(C)C1CN(C(C)CC)C(C)(c2ccccc2)CN1
InChIInChI=1S/C19H32N2/c1-6-15(3)18-13-21(16(4)7-2)19(5,14-20-18)17-11-9-8-10-12-17/h8-12,15-16,18,20H,6-7,13-14H2,1-5H3
InChIKeyJDNVEGSWDVSYQZ-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine
CID 80696880
1,5-di(butan-2-yl)-2,2-diethylpiperazine
CID 79445458
1,2-dimethyl-2-phenyl-5-propan-2-ylpiperazine
CID 64838310
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine
CID 107888529
1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine
CID 80697269
2,5-dimethyl-1-(2-methylpropyl)-2-phenylpiperazine
CID 64843969
5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062
2-methyl-1-(2-methylpropyl)-2-phenyl-5-propylpiperazine
CID 64838442
1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
CID 64847619
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792

Frequently Asked Questions

What is the IUPAC name of 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine?
The IUPAC name of 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine (CID 79446777) is 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine.
What is the SMILES notation for 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine?
The canonical SMILES for 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine is CCC(C)C1CN(C(C)CC)C(C)(c2ccccc2)CN1.
What is the InChIKey of 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine?
The InChIKey is JDNVEGSWDVSYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-15(3)18-13-21(16(4)7-2)19(5,14-20-18)17-11-9-8-10-12-17/h8-12,15-16,18,20H,6-7,13-14H2,1-5H3.
What are the key properties of 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine?
1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(butan-2-yl)-2-methyl-2-phenylpiperazine is sourced from PubChem (CID 79446777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).