3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride

C14H25Cl2N3OS — CID 119834100

IUPAC3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)(CN)C(=O)N1CCN(Cc2cccs2)CC1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-14(2,11-15)13(18)17-7-5-16(6-8-17)10-12-4-3-9-19-12;;/h3-4,9H,5-8,10-11,15H2,1-2H3;2*1H
InChIKeyXBZHRMKWBIMEQT-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.22
Rot. Bonds4

About 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride

3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119834100) has the molecular formula C14H25Cl2N3OS and a molecular weight of 354.35 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119834100
Molecular FormulaC14H25Cl2N3OS
Molecular Weight354.35 g/mol
Exact Mass353.11
IUPAC Name3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)(CN)C(=O)N1CCN(Cc2cccs2)CC1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-14(2,11-15)13(18)17-7-5-16(6-8-17)10-12-4-3-9-19-12;;/h3-4,9H,5-8,10-11,15H2,1-2H3;2*1H
InChIKeyXBZHRMKWBIMEQT-UHFFFAOYSA-N
XLogP2.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride with MolForge

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Related Compounds

3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834130
2,2-dimethyl-1-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 78802784
3-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 64683895
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
4-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 81075541
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801873
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119834100) is 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride is CC(C)(CN)C(=O)N1CCN(Cc2cccs2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is XBZHRMKWBIMEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.2ClH/c1-14(2,11-15)13(18)17-7-5-16(6-8-17)10-12-4-3-9-19-12;;/h3-4,9H,5-8,10-11,15H2,1-2H3;2*1H.
What are the key properties of 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 354.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119834100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).