1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine

C17H31N3S — CID 115415653

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)CC1CN(C)CCN1C
InChIInChI=1S/C17H31N3S/c1-4-9-18-15(7-8-17-6-5-12-21-17)13-16-14-19(2)10-11-20(16)3/h5-6,12,15-16,18H,4,7-11,13-14H2,1-3H3
InChIKeyGTMXRISJWSLJRA-UHFFFAOYSA-N
MW309.52 g/mol
LogP2.68
Rot. Bonds8

About 1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine

1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 115415653) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine
PubChem CID115415653
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)CC1CN(C)CCN1C
InChIInChI=1S/C17H31N3S/c1-4-9-18-15(7-8-17-6-5-12-21-17)13-16-14-19(2)10-11-20(16)3/h5-6,12,15-16,18H,4,7-11,13-14H2,1-3H3
InChIKeyGTMXRISJWSLJRA-UHFFFAOYSA-N
XLogP2.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 115415600
[1-(1,4-dimethylpiperazin-2-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105260267
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 115415642
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 115415598
N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine (CID 115415653) is 1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine is CCCNC(CCc1cccs1)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is GTMXRISJWSLJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-4-9-18-15(7-8-17-6-5-12-21-17)13-16-14-19(2)10-11-20(16)3/h5-6,12,15-16,18H,4,7-11,13-14H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 309.52 g/mol, XLogP of 2.68, 8 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)-N-propyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 115415653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).