1-(4-butylphenyl)-3-(2-methylpropyl)piperazine

C18H30N2 — CID 64924056

IUPAC1-(4-butylphenyl)-3-(2-methylpropyl)piperazine
SMILESCCCCc1ccc(N2CCNC(CC(C)C)C2)cc1
InChIInChI=1S/C18H30N2/c1-4-5-6-16-7-9-18(10-8-16)20-12-11-19-17(14-20)13-15(2)3/h7-10,15,17,19H,4-6,11-14H2,1-3H3
InChIKeyICHMRCQBPHVXAR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds6

About 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine

1-(4-butylphenyl)-3-(2-methylpropyl)piperazine (PubChem CID 64924056) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(2-methylpropyl)piperazine
PubChem CID64924056
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(4-butylphenyl)-3-(2-methylpropyl)piperazine
SMILESCCCCc1ccc(N2CCNC(CC(C)C)C2)cc1
InChIInChI=1S/C18H30N2/c1-4-5-6-16-7-9-18(10-8-16)20-12-11-19-17(14-20)13-15(2)3/h7-10,15,17,19H,4-6,11-14H2,1-3H3
InChIKeyICHMRCQBPHVXAR-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
CID 64924018
3-(2-methylpropyl)-1-phenyl-1,4-diazepane
CID 64943310
1-(4-tert-butylphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64941886
1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 65430675
1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine
CID 81267331
1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64923715
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64919809
N,N-dimethyl-4-[3-(2-methylpropyl)-1,4-diazepan-1-yl]aniline
CID 64944334
N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
CID 115379281
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-methylpropyl)piperazine
CID 64923799
6-[3-(2-methylpropyl)piperazin-1-yl]-1,3-benzothiazole
CID 107806622
1-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64942750

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine (CID 64924056) is 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine is CCCCc1ccc(N2CCNC(CC(C)C)C2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is ICHMRCQBPHVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-6-16-7-9-18(10-8-16)20-12-11-19-17(14-20)13-15(2)3/h7-10,15,17,19H,4-6,11-14H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine?
1-(4-butylphenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64924056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).