4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile

C17H21FN2O2 — CID 82136752

IUPAC4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile
SMILESCC1CCN(C(=O)C(C#N)CCOc2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN2O2/c1-13-5-8-20(9-6-13)17(21)14(12-19)7-10-22-16-4-2-3-15(18)11-16/h2-4,11,13-14H,5-10H2,1H3
InChIKeyRROBUOFWLITCFH-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.99
Rot. Bonds5

About 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile

4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile (PubChem CID 82136752) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile
PubChem CID82136752
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile
SMILESCC1CCN(C(=O)C(C#N)CCOc2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN2O2/c1-13-5-8-20(9-6-13)17(21)14(12-19)7-10-22-16-4-2-3-15(18)11-16/h2-4,11,13-14H,5-10H2,1H3
InChIKeyRROBUOFWLITCFH-UHFFFAOYSA-N
XLogP2.99
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylphenoxy)-2-(pyrrolidine-1-carbonyl)butanenitrile
CID 82136788
4-[3-(dimethylamino)phenoxy]-2-(pyrrolidine-1-carbonyl)butanenitrile
CID 82136808
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
4-[1-cyano-3-(3-fluorophenoxy)propyl]benzoic acid
CID 82137204
2-amino-4-(3-fluorophenoxy)butanenitrile
CID 63028827
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993
2-[2-(3-chlorophenoxy)ethyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 55431687
(2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide
CID 99787900
2-(azepane-1-carbonyl)-4-(2-methylphenoxy)butanenitrile
CID 82136819

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile?
The IUPAC name of 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile (CID 82136752) is 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile.
What is the SMILES notation for 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile?
The canonical SMILES for 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile is CC1CCN(C(=O)C(C#N)CCOc2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile?
The InChIKey is RROBUOFWLITCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-13-5-8-20(9-6-13)17(21)14(12-19)7-10-22-16-4-2-3-15(18)11-16/h2-4,11,13-14H,5-10H2,1H3.
What are the key properties of 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile?
4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile has a molecular weight of 304.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-2-(4-methylpiperidine-1-carbonyl)butanenitrile is sourced from PubChem (CID 82136752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).