(3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride

C11H17Cl2N3S — CID 171307005

IUPAC(3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride
SMILESCl.Cl.N#CC[C@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C11H15N3S.2ClH/c12-3-1-11(10-2-8-15-9-10)14-6-4-13-5-7-14;;/h2,8-9,11,13H,1,4-7H2;2*1H/t11-;;/m1../s1
InChIKeyWLTXJSIAVLWLMK-NVJADKKVSA-N
MW294.25 g/mol
LogP2.45
Rot. Bonds3

About (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride

(3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride (PubChem CID 171307005) has the molecular formula C11H17Cl2N3S and a molecular weight of 294.25 g/mol. Its IUPAC name is (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride.

Molecular Properties

Compound Name(3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride
PubChem CID171307005
Molecular FormulaC11H17Cl2N3S
Molecular Weight294.25 g/mol
Exact Mass293.05
IUPAC Name(3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride
SMILESCl.Cl.N#CC[C@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C11H15N3S.2ClH/c12-3-1-11(10-2-8-15-9-10)14-6-4-13-5-7-14;;/h2,8-9,11,13H,1,4-7H2;2*1H/t11-;;/m1../s1
InChIKeyWLTXJSIAVLWLMK-NVJADKKVSA-N
XLogP2.45
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-thiophen-3-ylpropyl]piperazine
CID 131188138
(3R)-3-(4-bromophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306575
(3R)-3-(3,5-dihydroxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306583
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306546
(3S)-3-(3,4-dimethylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305864
(3S)-3-piperazin-1-yl-3-(1H-pyrrol-2-yl)propanenitrile;dihydrochloride
CID 171305914
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
(3R)-3-(3,5-dibromophenyl)-3-piperazin-1-ylpropanenitrile
CID 171307111
(3R)-3-(3,5-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306693
(3R)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306644
(3R)-3-(3-iodophenyl)-3-piperazin-1-ylpropanenitrile
CID 171307003
(3S)-3-(4-ethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305873

Frequently Asked Questions

What is the IUPAC name of (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride?
The IUPAC name of (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride (CID 171307005) is (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride.
What is the SMILES notation for (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride?
The canonical SMILES for (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride is Cl.Cl.N#CC[C@H](c1ccsc1)N1CCNCC1.
What is the InChIKey of (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride?
The InChIKey is WLTXJSIAVLWLMK-NVJADKKVSA-N. The full InChI is InChI=1S/C11H15N3S.2ClH/c12-3-1-11(10-2-8-15-9-10)14-6-4-13-5-7-14;;/h2,8-9,11,13H,1,4-7H2;2*1H/t11-;;/m1../s1.
What are the key properties of (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride?
(3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride has a molecular weight of 294.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-piperazin-1-yl-3-thiophen-3-ylpropanenitrile;dihydrochloride is sourced from PubChem (CID 171307005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).