(3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile

C12H16N4 — CID 131380962

IUPAC(3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile
SMILESN#CC[C@H](c1ccccn1)N1CCNCC1
InChIInChI=1S/C12H16N4/c13-5-4-12(11-3-1-2-6-15-11)16-9-7-14-8-10-16/h1-3,6,12,14H,4,7-10H2/t12-/m1/s1
InChIKeyDGUCBZMCTDJNAC-GFCCVEGCSA-N
MW216.29 g/mol
LogP0.94
Rot. Bonds3

About (3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile

(3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile (PubChem CID 131380962) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name(3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile
PubChem CID131380962
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile
SMILESN#CC[C@H](c1ccccn1)N1CCNCC1
InChIInChI=1S/C12H16N4/c13-5-4-12(11-3-1-2-6-15-11)16-9-7-14-8-10-16/h1-3,6,12,14H,4,7-10H2/t12-/m1/s1
InChIKeyDGUCBZMCTDJNAC-GFCCVEGCSA-N
XLogP0.94
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
CID 171287156
1-(1-pyridin-2-yl-2-pyrrolidin-1-ylethyl)piperazine
CID 83980171
(3R)-3-(2-amino-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307032
(3S)-3-(2-methylphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306230
(3S)-3-(2,6-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171305748
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306546
(3S)-3-(2,6-dimethylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306027
(3S)-3-piperazin-1-yl-3-(1H-pyrrol-2-yl)propanenitrile;dihydrochloride
CID 171305914
1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
CID 83980176
(3R)-3-(3-iodophenyl)-3-piperazin-1-ylpropanenitrile
CID 171307003
(3R)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306644
(3R)-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307026

Frequently Asked Questions

What is the IUPAC name of (3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile?
The IUPAC name of (3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile (CID 131380962) is (3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile.
What is the SMILES notation for (3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile?
The canonical SMILES for (3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile is N#CC[C@H](c1ccccn1)N1CCNCC1.
What is the InChIKey of (3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile?
The InChIKey is DGUCBZMCTDJNAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N4/c13-5-4-12(11-3-1-2-6-15-11)16-9-7-14-8-10-16/h1-3,6,12,14H,4,7-10H2/t12-/m1/s1.
What are the key properties of (3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile?
(3R)-3-piperazin-1-yl-3-pyridin-2-ylpropanenitrile has a molecular weight of 216.29 g/mol, XLogP of 0.94, 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-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 131380962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).