2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile

C15H20N2O — CID 84756823

IUPAC2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile
SMILESCOc1ccccc1C(C#N)N1CCCC(C)C1
InChIInChI=1S/C15H20N2O/c1-12-6-5-9-17(11-12)14(10-16)13-7-3-4-8-15(13)18-2/h3-4,7-8,12,14H,5-6,9,11H2,1-2H3
InChIKeyMUZLUKYZYFOFQW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.99
Rot. Bonds3

About 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile

2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile (PubChem CID 84756823) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile
PubChem CID84756823
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile
SMILESCOc1ccccc1C(C#N)N1CCCC(C)C1
InChIInChI=1S/C15H20N2O/c1-12-6-5-9-17(11-12)14(10-16)13-7-3-4-8-15(13)18-2/h3-4,7-8,12,14H,5-6,9,11H2,1-2H3
InChIKeyMUZLUKYZYFOFQW-UHFFFAOYSA-N
XLogP2.99
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55022025
1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 84817751
(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929
2-(2,3-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetic acid
CID 84747599
2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile
CID 82020175
2-(3-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84756828
2-(3-methylpiperidin-1-yl)-2-(4-nitrophenyl)acetonitrile
CID 84756807
2-[4-(diethylamino)phenyl]-2-(3-methylpiperidin-1-yl)acetonitrile
CID 84756826
2-(2-ethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)acetonitrile
CID 112539891
1-[bis(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5171074
2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile
CID 130735374
(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 98672552

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile (CID 84756823) is 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile is COc1ccccc1C(C#N)N1CCCC(C)C1.
What is the InChIKey of 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile?
The InChIKey is MUZLUKYZYFOFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-6-5-9-17(11-12)14(10-16)13-7-3-4-8-15(13)18-2/h3-4,7-8,12,14H,5-6,9,11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile?
2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 84756823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).