(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile

C15H20N2 — CID 178171793

IUPAC(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile
SMILESCC[C@H]1CN(Cc2ccccc2)CCC1C#N
InChIInChI=1S/C15H20N2/c1-2-14-12-17(9-8-15(14)10-16)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-9,11-12H2,1H3/t14-,15?/m0/s1
InChIKeyNBKRIICLBYYJRP-MLCCFXAWSA-N
MW228.34 g/mol
LogP3.06
Rot. Bonds3

About (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile

(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile (PubChem CID 178171793) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile
PubChem CID178171793
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile
SMILESCC[C@H]1CN(Cc2ccccc2)CCC1C#N
InChIInChI=1S/C15H20N2/c1-2-14-12-17(9-8-15(14)10-16)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-9,11-12H2,1H3/t14-,15?/m0/s1
InChIKeyNBKRIICLBYYJRP-MLCCFXAWSA-N
XLogP3.06
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane
CID 144887397
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-3-ethylpyrrolidine
CID 12648208
1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine
CID 134324909
1-benzylazetidine-3-carbonitrile
CID 19814762
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile?
The IUPAC name of (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile (CID 178171793) is (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile.
What is the SMILES notation for (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile?
The canonical SMILES for (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile is CC[C@H]1CN(Cc2ccccc2)CCC1C#N.
What is the InChIKey of (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile?
The InChIKey is NBKRIICLBYYJRP-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-14-12-17(9-8-15(14)10-16)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-9,11-12H2,1H3/t14-,15?/m0/s1.
What are the key properties of (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile?
(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile is sourced from PubChem (CID 178171793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).