1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine

C15H24N2 — CID 118688491

IUPAC1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine
SMILES[3H]CN1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C15H24N2/c1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17/h5-8H,9-12H2,1-4H3/i4T
InChIKeyCMJWZPCWJTUGFX-IBTRZKOZSA-N
MW234.38 g/mol
LogP2.74
Rot. Bonds2

About 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine

1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine (PubChem CID 118688491) has the molecular formula C15H24N2 and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine
PubChem CID118688491
Molecular FormulaC15H24N2
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine
SMILES[3H]CN1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C15H24N2/c1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17/h5-8H,9-12H2,1-4H3/i4T
InChIKeyCMJWZPCWJTUGFX-IBTRZKOZSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mianserin
CID 4184
Dimethyl-p-toluidine
CID 7471
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Dimetacrine
CID 94280
N-Ethyl-N-benzylaniline
CID 7098
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, (14bS)-
CID 154315
Phenbenzamine
CID 13751

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine?
The IUPAC name of 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine (CID 118688491) is 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine is [3H]CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine?
The InChIKey is CMJWZPCWJTUGFX-IBTRZKOZSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17/h5-8H,9-12H2,1-4H3/i4T.
What are the key properties of 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine?
1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine has a molecular weight of 234.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine is sourced from PubChem (CID 118688491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).