1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine

C16H29N3S — CID 62772448

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CCN(C(C)CC)CC1
InChIInChI=1S/C16H29N3S/c1-4-13(3)18-7-9-19(10-8-18)16(15(17)5-2)14-6-11-20-12-14/h6,11-13,15-16H,4-5,7-10,17H2,1-3H3
InChIKeyCLKSQZSPNVAZLY-UHFFFAOYSA-N
MW295.50 g/mol
LogP2.94
Rot. Bonds6

About 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine

1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine (PubChem CID 62772448) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
PubChem CID62772448
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CCN(C(C)CC)CC1
InChIInChI=1S/C16H29N3S/c1-4-13(3)18-7-9-19(10-8-18)16(15(17)5-2)14-6-11-20-12-14/h6,11-13,15-16H,4-5,7-10,17H2,1-3H3
InChIKeyCLKSQZSPNVAZLY-UHFFFAOYSA-N
XLogP2.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
2-(Pyrrolidin-1-yl)-2-(thiophen-3-yl)ethan-1-amine
CID 16787050
(2-Amino-1-(thiophen-3-yl)ethyl)dimethylamine
CID 16795633
N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
CID 166630597
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 166634323
Piperazine, 4-methyl-1-(1-(3-thienyl)cyclohexyl)-, hydrochloride
CID 210752
Piperidinium, 1-methyl-1-(1-(3-thienyl)cyclohexyl)-, iodide
CID 210761
2-(4-Methylpiperidin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 4352910
N,N-Dimethyl-N'-[(3-methyl-2-thienyl)methyl]-1,2-ethanediamine
CID 4720499
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
2-(Thiophen-3-yl)pyrrolidine
CID 3988672

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine (CID 62772448) is 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine is CCC(N)C(c1ccsc1)N1CCN(C(C)CC)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine?
The InChIKey is CLKSQZSPNVAZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-4-13(3)18-7-9-19(10-8-18)16(15(17)5-2)14-6-11-20-12-14/h6,11-13,15-16H,4-5,7-10,17H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine?
1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 62772448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).