1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride

C15H20ClFN2O — CID 155832997

IUPAC1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride
SMILESCC(=O)N1Cc2cc(F)ccc2C2(CCNCC2)C1.Cl
InChIInChI=1S/C15H19FN2O.ClH/c1-11(19)18-9-12-8-13(16)2-3-14(12)15(10-18)4-6-17-7-5-15;/h2-3,8,17H,4-7,9-10H2,1H3;1H
InChIKeyMWGIANHITMJBJG-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.23
Rot. Bonds

About 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride

1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride (PubChem CID 155832997) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride
PubChem CID155832997
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride
SMILESCC(=O)N1Cc2cc(F)ccc2C2(CCNCC2)C1.Cl
InChIInChI=1S/C15H19FN2O.ClH/c1-11(19)18-9-12-8-13(16)2-3-14(12)15(10-18)4-6-17-7-5-15;/h2-3,8,17H,4-7,9-10H2,1H3;1H
InChIKeyMWGIANHITMJBJG-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone
CID 156796071
1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]
CID 18004971
6-fluorospiro[3H-indene-2,4'-piperidine]-1-one
CID 175058607
2-spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-ylacetamide;hydrochloride
CID 155857534
7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]
CID 115062771
5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide
CID 175773475
cyclopropyl-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742218
1-[1'-[(2-methoxyphenyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089626
4-(2,4-difluorophenyl)piperidin-4-ol
CID 62801689
3-fluoroaniline;1-piperazin-1-ylethanone
CID 69484090
5,7-difluoro-1-methylspiro[2H-indole-3,4'-piperidine]
CID 69264388
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-fluorobenzamide
CID 16942833

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride (CID 155832997) is 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride is CC(=O)N1Cc2cc(F)ccc2C2(CCNCC2)C1.Cl.
What is the InChIKey of 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride?
The InChIKey is MWGIANHITMJBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O.ClH/c1-11(19)18-9-12-8-13(16)2-3-14(12)15(10-18)4-6-17-7-5-15;/h2-3,8,17H,4-7,9-10H2,1H3;1H.
What are the key properties of 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride?
1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride has a molecular weight of 298.79 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 155832997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).