5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile

C14H18FN3 — CID 62315553

IUPAC5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile
SMILESCCN1CCC(Nc2ccc(F)c(C#N)c2)CC1
InChIInChI=1S/C14H18FN3/c1-2-18-7-5-12(6-8-18)17-13-3-4-14(15)11(9-13)10-16/h3-4,9,12,17H,2,5-8H2,1H3
InChIKeyHYLNTDNCTKRRBX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.59
Rot. Bonds3

About 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile

5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile (PubChem CID 62315553) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile
PubChem CID62315553
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile
SMILESCCN1CCC(Nc2ccc(F)c(C#N)c2)CC1
InChIInChI=1S/C14H18FN3/c1-2-18-7-5-12(6-8-18)17-13-3-4-14(15)11(9-13)10-16/h3-4,9,12,17H,2,5-8H2,1H3
InChIKeyHYLNTDNCTKRRBX-UHFFFAOYSA-N
XLogP2.59
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-fluorobenzonitrile
CID 62316616
2-fluoro-5-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 63476589
1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
CID 43719257
4-chloro-2-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 43681516
4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 62924829
2-fluoro-5-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817606
5-[(1-ethylazepan-4-yl)amino]-2-fluorobenzoic acid
CID 65074426
1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
CID 62816568
5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 79840147
2-fluoro-5-(oxepan-4-ylamino)benzonitrile
CID 65079147
5-[(3-aminocyclobutyl)amino]-2-fluorobenzonitrile
CID 80562506
2-nitro-5-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 115500253

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile (CID 62315553) is 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile is CCN1CCC(Nc2ccc(F)c(C#N)c2)CC1.
What is the InChIKey of 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile?
The InChIKey is HYLNTDNCTKRRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-18-7-5-12(6-8-18)17-13-3-4-14(15)11(9-13)10-16/h3-4,9,12,17H,2,5-8H2,1H3.
What are the key properties of 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile?
5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile has a molecular weight of 247.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile is sourced from PubChem (CID 62315553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).