(2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile

C13H16N2 — CID 95396519

IUPAC(2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile
SMILESN#C[C@@H](c1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C13H16N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-3,6-7,12-13,15H,4-5,8-9H2/t12-,13-/m0/s1
InChIKeyYDGDHTYZTPBCLZ-STQMWFEESA-N
MW200.29 g/mol
LogP2.44
Rot. Bonds2

About (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile

(2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile (PubChem CID 95396519) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile
PubChem CID95396519
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile
SMILESN#C[C@@H](c1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C13H16N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-3,6-7,12-13,15H,4-5,8-9H2/t12-,13-/m0/s1
InChIKeyYDGDHTYZTPBCLZ-STQMWFEESA-N
XLogP2.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile?
The IUPAC name of (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile (CID 95396519) is (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile.
What is the SMILES notation for (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile?
The canonical SMILES for (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile is N#C[C@@H](c1ccccc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile?
The InChIKey is YDGDHTYZTPBCLZ-STQMWFEESA-N. The full InChI is InChI=1S/C13H16N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-3,6-7,12-13,15H,4-5,8-9H2/t12-,13-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile?
(2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetonitrile is sourced from PubChem (CID 95396519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).