2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile

C14H18FN3 — CID 78915990

IUPAC2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile
SMILESCCN1CCCC(Nc2cccc(F)c2C#N)C1
InChIInChI=1S/C14H18FN3/c1-2-18-8-4-5-11(10-18)17-14-7-3-6-13(15)12(14)9-16/h3,6-7,11,17H,2,4-5,8,10H2,1H3
InChIKeyVMIUHDXBNNWDDX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.59
Rot. Bonds3

About 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile

2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile (PubChem CID 78915990) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile
PubChem CID78915990
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile
SMILESCCN1CCCC(Nc2cccc(F)c2C#N)C1
InChIInChI=1S/C14H18FN3/c1-2-18-8-4-5-11(10-18)17-14-7-3-6-13(15)12(14)9-16/h3,6-7,11,17H,2,4-5,8,10H2,1H3
InChIKeyVMIUHDXBNNWDDX-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

2-fluoro-6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]benzonitrile
CID 94032537
4-[(1-ethylpiperidin-3-yl)amino]-3,5-difluorobenzonitrile
CID 78955340
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile
CID 104711681
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402
2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 43400425
2-[(1-ethylpiperidin-3-yl)amino]-5-nitrobenzonitrile
CID 61171760
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile
CID 133357352
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
2-chloro-6-[(1-ethylpiperidin-3-yl)amino]benzenecarbothioamide
CID 62496167
2-[2-(azepan-1-yl)ethylamino]-6-fluorobenzonitrile
CID 52855451

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile (CID 78915990) is 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile is CCN1CCCC(Nc2cccc(F)c2C#N)C1.
What is the InChIKey of 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile?
The InChIKey is VMIUHDXBNNWDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-18-8-4-5-11(10-18)17-14-7-3-6-13(15)12(14)9-16/h3,6-7,11,17H,2,4-5,8,10H2,1H3.
What are the key properties of 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile?
2-[(1-ethylpiperidin-3-yl)amino]-6-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 2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 78915990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).