1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride

C18H21ClFNO2 — CID 19760928

IUPAC1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H20FNO2.ClH/c19-15-6-4-14(5-7-15)17-8-9-18(22-17)16(21)10-13-20-11-2-1-3-12-20;/h4-9H,1-3,10-13H2;1H
InChIKeyWRKFRABKFAYTCP-UHFFFAOYSA-N
MW337.82 g/mol
LogP4.57
Rot. Bonds5

About 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride

1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride (PubChem CID 19760928) has the molecular formula C18H21ClFNO2 and a molecular weight of 337.82 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
PubChem CID19760928
Molecular FormulaC18H21ClFNO2
Molecular Weight337.82 g/mol
Exact Mass337.12
IUPAC Name1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H20FNO2.ClH/c19-15-6-4-14(5-7-15)17-8-9-18(22-17)16(21)10-13-20-11-2-1-3-12-20;/h4-9H,1-3,10-13H2;1H
InChIKeyWRKFRABKFAYTCP-UHFFFAOYSA-N
XLogP4.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
1-(azepan-1-yl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]ethanone
CID 35610778
5-(4-fluorophenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)furan-2-carboxamide
CID 55378466
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
CID 78804067
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 170859218
1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514169
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 27841746

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride (CID 19760928) is 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride is Cl.O=C(CCN1CCCCC1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is WRKFRABKFAYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2.ClH/c19-15-6-4-14(5-7-15)17-8-9-18(22-17)16(21)10-13-20-11-2-1-3-12-20;/h4-9H,1-3,10-13H2;1H.
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride?
1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 337.82 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 19760928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).