1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine

C19H32N2 — CID 13251981

IUPAC1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CN1CCN(C)CC1
InChIInChI=1S/C19H32N2/c1-16(15-21-12-10-20(5)11-13-21)14-17-6-8-18(9-7-17)19(2,3)4/h6-9,16H,10-15H2,1-5H3
InChIKeyKZYOPOGPDWNUOI-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.41
Rot. Bonds4

About 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine

1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine (PubChem CID 13251981) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine
PubChem CID13251981
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CN1CCN(C)CC1
InChIInChI=1S/C19H32N2/c1-16(15-21-12-10-20(5)11-13-21)14-17-6-8-18(9-7-17)19(2,3)4/h6-9,16H,10-15H2,1-5H3
InChIKeyKZYOPOGPDWNUOI-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4,4-dimethoxypiperidine
CID 70600222
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448
(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine
CID 70415741
1-[2-(4-tert-butylphenyl)ethyl]-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111892147
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3,5,5-trimethylazepane
CID 3053269
(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 780135
1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine-3-carboxylic acid
CID 122040846
(2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine
CID 163798698
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
1-(4-methylpiperazin-1-yl)propan-2-yl 2-(4-tert-butylphenoxy)acetate
CID 3521789
7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907498

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine (CID 13251981) is 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine is CC(Cc1ccc(C(C)(C)C)cc1)CN1CCN(C)CC1.
What is the InChIKey of 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine?
The InChIKey is KZYOPOGPDWNUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(15-21-12-10-20(5)11-13-21)14-17-6-8-18(9-7-17)19(2,3)4/h6-9,16H,10-15H2,1-5H3.
What are the key properties of 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine?
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine is sourced from PubChem (CID 13251981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).