1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride

C10H16Cl2F2N2S — CID 171280730

IUPAC1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C10H14F2N2S.2ClH/c11-10(12)9(8-1-6-15-7-8)14-4-2-13-3-5-14;;/h1,6-7,9-10,13H,2-5H2;2*1H/t9-;;/m1../s1
InChIKeyNVEQLQLEDACNHP-KLQYNRQASA-N
MW305.22 g/mol
LogP2.80
Rot. Bonds3

About 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride

1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride (PubChem CID 171280730) has the molecular formula C10H16Cl2F2N2S and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride
PubChem CID171280730
Molecular FormulaC10H16Cl2F2N2S
Molecular Weight305.22 g/mol
Exact Mass304.04
IUPAC Name1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C10H14F2N2S.2ClH/c11-10(12)9(8-1-6-15-7-8)14-4-2-13-3-5-14;;/h1,6-7,9-10,13H,2-5H2;2*1H/t9-;;/m1../s1
InChIKeyNVEQLQLEDACNHP-KLQYNRQASA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171281539
1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171276033
3-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285431
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(1S)-2,2-difluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine
CID 171294567
1-[(1S)-1-thiophen-3-ylpropyl]piperazine
CID 131188138
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[(1S)-1-(3,5-dibromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171295338
4-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171272474
(3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride
CID 171307005

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride (CID 171280730) is 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)[C@@H](c1ccsc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride?
The InChIKey is NVEQLQLEDACNHP-KLQYNRQASA-N. The full InChI is InChI=1S/C10H14F2N2S.2ClH/c11-10(12)9(8-1-6-15-7-8)14-4-2-13-3-5-14;;/h1,6-7,9-10,13H,2-5H2;2*1H/t9-;;/m1../s1.
What are the key properties of 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride?
1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride has a molecular weight of 305.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171280730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).