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

C18H31N3 — CID 115415511

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1C)CC1CN(C)CCN1C
InChIInChI=1S/C18H31N3/c1-5-19-17(12-16-9-7-6-8-15(16)2)13-18-14-20(3)10-11-21(18)4/h6-9,17-19H,5,10-14H2,1-4H3
InChIKeyCDHVDPUADNONDR-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.15
Rot. Bonds6

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

1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine (PubChem CID 115415511) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
PubChem CID115415511
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1C)CC1CN(C)CCN1C
InChIInChI=1S/C18H31N3/c1-5-19-17(12-16-9-7-6-8-15(16)2)13-18-14-20(3)10-11-21(18)4/h6-9,17-19H,5,10-14H2,1-4H3
InChIKeyCDHVDPUADNONDR-UHFFFAOYSA-N
XLogP2.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine
CID 115415424
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 115415598
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
CID 115414554
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 115517604
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 115415288
2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115415525
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415473

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine (CID 115415511) is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine is CCNC(Cc1ccccc1C)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The InChIKey is CDHVDPUADNONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-19-17(12-16-9-7-6-8-15(16)2)13-18-14-20(3)10-11-21(18)4/h6-9,17-19H,5,10-14H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 2.15, 6 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-ethyl-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 115415511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).