2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine

C15H25N3 — CID 24695476

IUPAC2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
SMILESCc1cccc(N2CCN(C(C)(C)CN)CC2)c1
InChIInChI=1S/C15H25N3/c1-13-5-4-6-14(11-13)17-7-9-18(10-8-17)15(2,3)12-16/h4-6,11H,7-10,12,16H2,1-3H3
InChIKeyNFKHRYDWTUNJJP-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine

2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine (PubChem CID 24695476) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
PubChem CID24695476
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
SMILESCc1cccc(N2CCN(C(C)(C)CN)CC2)c1
InChIInChI=1S/C15H25N3/c1-13-5-4-6-14(11-13)17-7-9-18(10-8-17)15(2,3)12-16/h4-6,11H,7-10,12,16H2,1-3H3
InChIKeyNFKHRYDWTUNJJP-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 43135337
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
1-(3-methylphenyl)piperidine;propane
CID 143942273
N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine (CID 24695476) is 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine is Cc1cccc(N2CCN(C(C)(C)CN)CC2)c1.
What is the InChIKey of 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is NFKHRYDWTUNJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-5-4-6-14(11-13)17-7-9-18(10-8-17)15(2,3)12-16/h4-6,11H,7-10,12,16H2,1-3H3.
What are the key properties of 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine?
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 24695476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).