2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile

C19H22N2 — CID 84756695

IUPAC2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile
SMILESCC1CC(C)CN(C(C#N)c2cccc3ccccc23)C1
InChIInChI=1S/C19H22N2/c1-14-10-15(2)13-21(12-14)19(11-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,14-15,19H,10,12-13H2,1-2H3
InChIKeyGKZRZWCDNQGYKC-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.38
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile

2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile (PubChem CID 84756695) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile
PubChem CID84756695
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile
SMILESCC1CC(C)CN(C(C#N)c2cccc3ccccc23)C1
InChIInChI=1S/C19H22N2/c1-14-10-15(2)13-21(12-14)19(11-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,14-15,19H,10,12-13H2,1-2H3
InChIKeyGKZRZWCDNQGYKC-UHFFFAOYSA-N
XLogP4.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile
CID 84756676
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
2-(3,4-dimethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
CID 84756670
2-(2-chlorophenyl)-2-[3-(methylamino)azetidin-1-yl]acetonitrile
CID 121209820
1-(1-naphthalen-1-ylethyl)azetidin-3-ol
CID 23381710
dinaphthalen-1-ylmethyl thiocyanate
CID 42603483
2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 121209842
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
2-[hydroxy(naphthalen-1-yl)methyl]pentanenitrile
CID 79412199
2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
CID 116946417
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile (CID 84756695) is 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile is CC1CC(C)CN(C(C#N)c2cccc3ccccc23)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile?
The InChIKey is GKZRZWCDNQGYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-10-15(2)13-21(12-14)19(11-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,14-15,19H,10,12-13H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile?
2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile has a molecular weight of 278.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile is sourced from PubChem (CID 84756695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).