6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile

C12H14N4 — CID 135268156

IUPAC6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESC=C[C@H]1CN(c2ccc(C#N)cn2)CCN1
InChIInChI=1S/C12H14N4/c1-2-11-9-16(6-5-14-11)12-4-3-10(7-13)8-15-12/h2-4,8,11,14H,1,5-6,9H2/t11-/m0/s1
InChIKeyNRBJKJFOYLQULL-NSHDSACASA-N
MW214.27 g/mol
LogP0.92
Rot. Bonds2

About 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile

6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 135268156) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile
PubChem CID135268156
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESC=C[C@H]1CN(c2ccc(C#N)cn2)CCN1
InChIInChI=1S/C12H14N4/c1-2-11-9-16(6-5-14-11)12-4-3-10(7-13)8-15-12/h2-4,8,11,14H,1,5-6,9H2/t11-/m0/s1
InChIKeyNRBJKJFOYLQULL-NSHDSACASA-N
XLogP0.92
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 47360080
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739
6-(3-morpholin-4-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 175647980
6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile
CID 71860442
6-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95223920
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 163351951

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile (CID 135268156) is 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile is C=C[C@H]1CN(c2ccc(C#N)cn2)CCN1.
What is the InChIKey of 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NRBJKJFOYLQULL-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N4/c1-2-11-9-16(6-5-14-11)12-4-3-10(7-13)8-15-12/h2-4,8,11,14H,1,5-6,9H2/t11-/m0/s1.
What are the key properties of 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile?
6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 135268156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).