(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride

C12H19Cl2N5 — CID 171307032

IUPAC(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
SMILESCl.Cl.N#CC[C@H](c1cccnc1N)N1CCNCC1
InChIInChI=1S/C12H17N5.2ClH/c13-4-3-11(17-8-6-15-7-9-17)10-2-1-5-16-12(10)14;;/h1-2,5,11,15H,3,6-9H2,(H2,14,16);2*1H/t11-;;/m1../s1
InChIKeyKPCCHNRFNDKVGR-NVJADKKVSA-N
MW304.22 g/mol
LogP1.37
Rot. Bonds3

About (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride

(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride (PubChem CID 171307032) has the molecular formula C12H19Cl2N5 and a molecular weight of 304.22 g/mol. Its IUPAC name is (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride.

Molecular Properties

Compound Name(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
PubChem CID171307032
Molecular FormulaC12H19Cl2N5
Molecular Weight304.22 g/mol
Exact Mass303.10
IUPAC Name(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
SMILESCl.Cl.N#CC[C@H](c1cccnc1N)N1CCNCC1
InChIInChI=1S/C12H17N5.2ClH/c13-4-3-11(17-8-6-15-7-9-17)10-2-1-5-16-12(10)14;;/h1-2,5,11,15H,3,6-9H2,(H2,14,16);2*1H/t11-;;/m1../s1
InChIKeyKPCCHNRFNDKVGR-NVJADKKVSA-N
XLogP1.37
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]pyridin-2-amine
CID 171281215
(3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile
CID 131380962
(3S)-3-(2-methylphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306230
3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride
CID 171293862
(3S)-3-(2-bromo-3-fluorophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306035
(3S)-3-(3-chloro-2-fluorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306208
(3S)-3-(3-fluoro-2-methylphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306004
(3S)-3-piperazin-1-yl-3-(1H-pyrrol-2-yl)propanenitrile;dihydrochloride
CID 171305914
(3S)-3-(2,6-dimethylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306027
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine
CID 171293849
(3R)-3-(2-chloro-5-fluorophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306788
(3S)-3-piperazin-1-yl-3-pyren-1-ylpropanenitrile;dihydrochloride
CID 171306470

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride?
The IUPAC name of (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride (CID 171307032) is (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride.
What is the SMILES notation for (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride?
The canonical SMILES for (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride is Cl.Cl.N#CC[C@H](c1cccnc1N)N1CCNCC1.
What is the InChIKey of (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride?
The InChIKey is KPCCHNRFNDKVGR-NVJADKKVSA-N. The full InChI is InChI=1S/C12H17N5.2ClH/c13-4-3-11(17-8-6-15-7-9-17)10-2-1-5-16-12(10)14;;/h1-2,5,11,15H,3,6-9H2,(H2,14,16);2*1H/t11-;;/m1../s1.
What are the key properties of (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride?
(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride has a molecular weight of 304.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride is sourced from PubChem (CID 171307032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).