3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine

C16H27N3 — CID 116939906

IUPAC3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(N)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-10-13(2)16(14(3)11-12)15(17)4-7-19-8-5-18-6-9-19/h10-11,15,18H,4-9,17H2,1-3H3
InChIKeyOIJXKYDLNVIERA-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.91
Rot. Bonds4

About 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine

3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 116939906) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID116939906
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(N)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-10-13(2)16(14(3)11-12)15(17)4-7-19-8-5-18-6-9-19/h10-11,15,18H,4-9,17H2,1-3H3
InChIKeyOIJXKYDLNVIERA-UHFFFAOYSA-N
XLogP1.91
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 16790701
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 82302464
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine
CID 116942064
1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939916
1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 93464451
3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073558
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116939912

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine (CID 116939906) is 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine is Cc1cc(C)c(C(N)CCN2CCNCC2)c(C)c1.
What is the InChIKey of 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is OIJXKYDLNVIERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-10-13(2)16(14(3)11-12)15(17)4-7-19-8-5-18-6-9-19/h10-11,15,18H,4-9,17H2,1-3H3.
What are the key properties of 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine?
3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 116939906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).