(E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one

C18H18FNO — CID 10062374

IUPAC(E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C(F)=C\c1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C18H18FNO/c19-17(18(21)20-10-4-1-5-11-20)13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12-13H,1,4-5,10-11H2/b17-13+
InChIKeyBQYDYEMPJFIEOT-GHRIWEEISA-N
MW283.35 g/mol
LogP4.16
Rot. Bonds2

About (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one

(E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 10062374) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one
PubChem CID10062374
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C(F)=C\c1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C18H18FNO/c19-17(18(21)20-10-4-1-5-11-20)13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12-13H,1,4-5,10-11H2/b17-13+
InChIKeyBQYDYEMPJFIEOT-GHRIWEEISA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione
CID 122383489
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
2-(2-bromo-2-fluoroethenyl)naphthalene
CID 71421108
2-[(E)-2-fluorobut-1-en-3-ynyl]naphthalene
CID 71504862
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
2-(1,2-dinaphthalen-2-ylethenyl)naphthalene
CID 171662067
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
(E)-2-chloro-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 909634
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one (CID 10062374) is (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one is O=C(/C(F)=C\c1ccc2ccccc2c1)N1CCCCC1.
What is the InChIKey of (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is BQYDYEMPJFIEOT-GHRIWEEISA-N. The full InChI is InChI=1S/C18H18FNO/c19-17(18(21)20-10-4-1-5-11-20)13-14-8-9-15-6-2-3-7-16(15)12-14/h2-3,6-9,12-13H,1,4-5,10-11H2/b17-13+.
What are the key properties of (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one?
(E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 283.35 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 10062374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).