1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine

C16H27N3 — CID 116946807

IUPAC1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccc(C(N)C(C)(C)N2CCNCC2)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-5-6-14(13(2)11-12)15(17)16(3,4)19-9-7-18-8-10-19/h5-6,11,15,18H,7-10,17H2,1-4H3
InChIKeyFDUDLLUPKKFUFA-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.99
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine

1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 116946807) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
PubChem CID116946807
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccc(C(N)C(C)(C)N2CCNCC2)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-5-6-14(13(2)11-12)15(17)16(3,4)19-9-7-18-8-10-19/h5-6,11,15,18H,7-10,17H2,1-4H3
InChIKeyFDUDLLUPKKFUFA-UHFFFAOYSA-N
XLogP1.99
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171282246
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946820
1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
1-(4-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946814
(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 131625562
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid
CID 54890187
(3S)-3-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95459507
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine (CID 116946807) is 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine is Cc1ccc(C(N)C(C)(C)N2CCNCC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is FDUDLLUPKKFUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-5-6-14(13(2)11-12)15(17)16(3,4)19-9-7-18-8-10-19/h5-6,11,15,18H,7-10,17H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).