2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine

C16H27N3 — CID 63610006

IUPAC2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)N1CCN(C)C(C)C1
InChIInChI=1S/C16H27N3/c1-13-12-19(11-10-18(13)4)14(2)16(17-3)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3
InChIKeyPKJCSWIDSVSYQM-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.97
Rot. Bonds4

About 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine

2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine (PubChem CID 63610006) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine
PubChem CID63610006
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)N1CCN(C)C(C)C1
InChIInChI=1S/C16H27N3/c1-13-12-19(11-10-18(13)4)14(2)16(17-3)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3
InChIKeyPKJCSWIDSVSYQM-UHFFFAOYSA-N
XLogP1.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
CID 63169857
2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 82979211
3-[1-(3,4-dimethylpiperazin-1-yl)ethyl]aniline
CID 63603446
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83227177
4-(3,4-dimethylpiperazin-1-yl)-N-(1-phenylethyl)aniline;formamide
CID 175361850
3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
CID 63621095
1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63605368
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 63603789
2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine
CID 63467927
2-(3-bromophenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid
CID 83979780
2-(3,4-dimethylpiperazin-1-yl)-1-phenylbutan-1-one
CID 55215618
2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine
CID 63609825

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine (CID 63610006) is 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)N1CCN(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine?
The InChIKey is PKJCSWIDSVSYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-12-19(11-10-18(13)4)14(2)16(17-3)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine?
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 63610006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).