4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride

C12H21Cl2N3OS — CID 119894828

IUPAC4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(c2cccs2)CC1
InChIInChI=1S/C12H19N3OS.2ClH/c13-5-1-3-11(16)14-6-8-15(9-7-14)12-4-2-10-17-12;;/h2,4,10H,1,3,5-9,13H2;2*1H
InChIKeyWZWYUGJWNMYJMN-UHFFFAOYSA-N
MW326.29 g/mol
LogP1.98
Rot. Bonds4

About 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride

4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride (PubChem CID 119894828) has the molecular formula C12H21Cl2N3OS and a molecular weight of 326.29 g/mol. Its IUPAC name is 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
PubChem CID119894828
Molecular FormulaC12H21Cl2N3OS
Molecular Weight326.29 g/mol
Exact Mass325.08
IUPAC Name4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(c2cccs2)CC1
InChIInChI=1S/C12H19N3OS.2ClH/c13-5-1-3-11(16)14-6-8-15(9-7-14)12-4-2-10-17-12;;/h2,4,10H,1,3,5-9,13H2;2*1H
InChIKeyWZWYUGJWNMYJMN-UHFFFAOYSA-N
XLogP1.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894757
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 119894758
4-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119827999
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 119850254
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
4-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 119863990
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride (CID 119894828) is 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride is Cl.Cl.NCCCC(=O)N1CCN(c2cccs2)CC1.
What is the InChIKey of 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride?
The InChIKey is WZWYUGJWNMYJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.2ClH/c13-5-1-3-11(16)14-6-8-15(9-7-14)12-4-2-10-17-12;;/h2,4,10H,1,3,5-9,13H2;2*1H.
What are the key properties of 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride?
4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride has a molecular weight of 326.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride is sourced from PubChem (CID 119894828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).