1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine

C16H28N4 — CID 115414992

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
SMILESCCc1ccc(CC(N)CC2CN(C)CCN2C)nc1
InChIInChI=1S/C16H28N4/c1-4-13-5-6-15(18-11-13)9-14(17)10-16-12-19(2)7-8-20(16)3/h5-6,11,14,16H,4,7-10,12,17H2,1-3H3
InChIKeyOXTHLEUPJOSROS-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.15
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine

1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine (PubChem CID 115414992) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
PubChem CID115414992
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
SMILESCCc1ccc(CC(N)CC2CN(C)CCN2C)nc1
InChIInChI=1S/C16H28N4/c1-4-13-5-6-15(18-11-13)9-14(17)10-16-12-19(2)7-8-20(16)3/h5-6,11,14,16H,4,7-10,12,17H2,1-3H3
InChIKeyOXTHLEUPJOSROS-UHFFFAOYSA-N
XLogP1.15
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168878
1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 114932554
1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115
1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine
CID 105169001
1-(1,4-dimethylpiperazin-2-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-amine
CID 115415163
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-amine
CID 79748258
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-(5-ethyl-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 79748287
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415031

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine (CID 115414992) is 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine is CCc1ccc(CC(N)CC2CN(C)CCN2C)nc1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
The InChIKey is OXTHLEUPJOSROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-13-5-6-15(18-11-13)9-14(17)10-16-12-19(2)7-8-20(16)3/h5-6,11,14,16H,4,7-10,12,17H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 115414992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).