3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine

C16H26N2O — CID 64926714

IUPAC3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine
SMILESCCC(C)C1CN(c2ccc(OC)c(C)c2)CCN1
InChIInChI=1S/C16H26N2O/c1-5-12(2)15-11-18(9-8-17-15)14-6-7-16(19-4)13(3)10-14/h6-7,10,12,15,17H,5,8-9,11H2,1-4H3
InChIKeyMLBGXGKGMRIMDI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds4

About 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine

3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine (PubChem CID 64926714) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine
PubChem CID64926714
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine
SMILESCCC(C)C1CN(c2ccc(OC)c(C)c2)CCN1
InChIInChI=1S/C16H26N2O/c1-5-12(2)15-11-18(9-8-17-15)14-6-7-16(19-4)13(3)10-14/h6-7,10,12,15,17H,5,8-9,11H2,1-4H3
InChIKeyMLBGXGKGMRIMDI-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine
CID 64925235
3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926350
3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
CID 64926057
3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine
CID 64925856
3-butan-2-yl-1-(2,5-dimethoxyphenyl)-1,4-diazepane
CID 64942271
3-butan-2-yl-1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine
CID 64923878
1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine
CID 64920411
1-(5-bromo-2-methoxyphenyl)-3-butan-2-yl-1,4-diazepane
CID 64945226
3-butan-2-yl-1-(4-chloro-2-methoxy-5-methylphenyl)-1,4-diazepane
CID 64944553
(3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine
CID 70274970
3-butan-2-yl-1-(2,6-difluoro-3-methylphenyl)piperazine
CID 82819374
3-butan-2-yl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64926215

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine (CID 64926714) is 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine is CCC(C)C1CN(c2ccc(OC)c(C)c2)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine?
The InChIKey is MLBGXGKGMRIMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-12(2)15-11-18(9-8-17-15)14-6-7-16(19-4)13(3)10-14/h6-7,10,12,15,17H,5,8-9,11H2,1-4H3.
What are the key properties of 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine?
3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine is sourced from PubChem (CID 64926714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).