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

C17H29N3 — CID 115415288

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
SMILESCNC(Cc1cccc(C)c1)CC1CN(C)CCN1C
InChIInChI=1S/C17H29N3/c1-14-6-5-7-15(10-14)11-16(18-2)12-17-13-19(3)8-9-20(17)4/h5-7,10,16-18H,8-9,11-13H2,1-4H3
InChIKeyFBLHWORSJCEEMG-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.76
Rot. Bonds5

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

1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine (PubChem CID 115415288) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
PubChem CID115415288
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
SMILESCNC(Cc1cccc(C)c1)CC1CN(C)CCN1C
InChIInChI=1S/C17H29N3/c1-14-6-5-7-15(10-14)11-16(18-2)12-17-13-19(3)8-9-20(17)4/h5-7,10,16-18H,8-9,11-13H2,1-4H3
InChIKeyFBLHWORSJCEEMG-UHFFFAOYSA-N
XLogP1.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
CID 115415228
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
[1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260290
1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
4-[3-(1,4-dimethylpiperazin-2-yl)-2-hydrazinylpropyl]pyridin-2-amine
CID 105260183
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
CID 115415336
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 115415511
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpent-4-en-2-amine
CID 115415234
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
CID 115415407
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
CID 115415360
1-N,1-N-diethyl-3-N-methyl-4-(3-methylphenyl)butane-1,3-diamine
CID 79087525

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine (CID 115415288) is 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine is CNC(Cc1cccc(C)c1)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine?
The InChIKey is FBLHWORSJCEEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14-6-5-7-15(10-14)11-16(18-2)12-17-13-19(3)8-9-20(17)4/h5-7,10,16-18H,8-9,11-13H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 115415288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).