1-methyl-4-(4-octan-4-ylphenyl)piperazine

C19H32N2 — CID 146185845

IUPAC1-methyl-4-(4-octan-4-ylphenyl)piperazine
SMILESCCCCC(CCC)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-6-8-17(7-5-2)18-9-11-19(12-10-18)21-15-13-20(3)14-16-21/h9-12,17H,4-8,13-16H2,1-3H3
InChIKeySSUFNAPWIQSQMD-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.51
Rot. Bonds7

About 1-methyl-4-(4-octan-4-ylphenyl)piperazine

1-methyl-4-(4-octan-4-ylphenyl)piperazine (PubChem CID 146185845) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-methyl-4-(4-octan-4-ylphenyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-octan-4-ylphenyl)piperazine
PubChem CID146185845
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-methyl-4-(4-octan-4-ylphenyl)piperazine
SMILESCCCCC(CCC)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-6-8-17(7-5-2)18-9-11-19(12-10-18)21-15-13-20(3)14-16-21/h9-12,17H,4-8,13-16H2,1-3H3
InChIKeySSUFNAPWIQSQMD-UHFFFAOYSA-N
XLogP4.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
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

(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 113242060
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
CID 158500114
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
4-[4-(1-phenylpentan-2-yl)phenyl]morpholine
CID 174948400
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine
CID 71102032
2-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]acetaldehyde
CID 87854614
3-amino-1-[4-(4-methylpiperazin-1-yl)phenyl]propane-1,2-diol
CID 170828993
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
CID 39911400

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-octan-4-ylphenyl)piperazine?
The IUPAC name of 1-methyl-4-(4-octan-4-ylphenyl)piperazine (CID 146185845) is 1-methyl-4-(4-octan-4-ylphenyl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-octan-4-ylphenyl)piperazine?
The canonical SMILES for 1-methyl-4-(4-octan-4-ylphenyl)piperazine is CCCCC(CCC)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-(4-octan-4-ylphenyl)piperazine?
The InChIKey is SSUFNAPWIQSQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-6-8-17(7-5-2)18-9-11-19(12-10-18)21-15-13-20(3)14-16-21/h9-12,17H,4-8,13-16H2,1-3H3.
What are the key properties of 1-methyl-4-(4-octan-4-ylphenyl)piperazine?
1-methyl-4-(4-octan-4-ylphenyl)piperazine has a molecular weight of 288.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-octan-4-ylphenyl)piperazine is sourced from PubChem (CID 146185845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).