(2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile

C14H15N3 — CID 13497933

IUPAC(2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile
SMILESN#C[C@@H]1CCC[C@H](C#N)N1Cc1ccccc1
InChIInChI=1S/C14H15N3/c15-9-13-7-4-8-14(10-16)17(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-8,11H2/t13-,14+
InChIKeyHYOKFAVTFNEWSQ-OKILXGFUSA-N
MW225.30 g/mol
LogP2.46
Rot. Bonds2

About (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile

(2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile (PubChem CID 13497933) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile.

Molecular Properties

Compound Name(2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile
PubChem CID13497933
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name(2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile
SMILESN#C[C@@H]1CCC[C@H](C#N)N1Cc1ccccc1
InChIInChI=1S/C14H15N3/c15-9-13-7-4-8-14(10-16)17(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-8,11H2/t13-,14+
InChIKeyHYOKFAVTFNEWSQ-OKILXGFUSA-N
XLogP2.46
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile?
The IUPAC name of (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile (CID 13497933) is (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile.
What is the SMILES notation for (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile?
The canonical SMILES for (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile is N#C[C@@H]1CCC[C@H](C#N)N1Cc1ccccc1.
What is the InChIKey of (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile?
The InChIKey is HYOKFAVTFNEWSQ-OKILXGFUSA-N. The full InChI is InChI=1S/C14H15N3/c15-9-13-7-4-8-14(10-16)17(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-8,11H2/t13-,14+.
What are the key properties of (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile?
(2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile has a molecular weight of 225.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-benzylpiperidine-2,6-dicarbonitrile is sourced from PubChem (CID 13497933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).