6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

C23H27Cl2NO — CID 45261787

IUPAC6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCl.O=C1c2ccc(Cl)cc2CCC1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H26ClNO.ClH/c24-20-7-9-22-19(16-20)6-8-21(23(22)26)18-11-14-25(15-12-18)13-10-17-4-2-1-3-5-17;/h1-5,7,9,16,18,21H,6,8,10-15H2;1H
InChIKeyCWHRJHRFGKBIQM-UHFFFAOYSA-N
MW404.38 g/mol
LogP5.46
Rot. Bonds4

About 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (PubChem CID 45261787) has the molecular formula C23H27Cl2NO and a molecular weight of 404.38 g/mol. Its IUPAC name is 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
PubChem CID45261787
Molecular FormulaC23H27Cl2NO
Molecular Weight404.38 g/mol
Exact Mass403.15
IUPAC Name6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCl.O=C1c2ccc(Cl)cc2CCC1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H26ClNO.ClH/c24-20-7-9-22-19(16-20)6-8-21(23(22)26)18-11-14-25(15-12-18)13-10-17-4-2-1-3-5-17;/h1-5,7,9,16,18,21H,6,8,10-15H2;1H
InChIKeyCWHRJHRFGKBIQM-UHFFFAOYSA-N
XLogP5.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.38
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride with MolForge

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Related Compounds

4-[4-(4-Chlorophenyl)piperidin-1-yl]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)butan-1-one
CID 21108114
5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
CID 134133604
Cloroperone Hydrochloride
CID 41535
6-Chloro-1''-phenethylspiro[1,2,3,4-tetrahydronaphthalene-2,4''-(hexahydropyridine)]-1-one
CID 10450758
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-tetrahydropyridine
CID 11382826
1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 91864602
1-(4-Chlorophenyl)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-one;hydrochloride
CID 134144303
6-Fluoro-2-(1-phenethyl-piperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 9998085
2-{1-[2-(4-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1-(4-fluoro-phenyl)-ethanone
CID 10316441
2-(4-Benzyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 11234042
3-(4-Benzyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 11406043
1'-(2-Phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
CID 45261755

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The IUPAC name of 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (CID 45261787) is 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.
What is the SMILES notation for 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The canonical SMILES for 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is Cl.O=C1c2ccc(Cl)cc2CCC1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The InChIKey is CWHRJHRFGKBIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO.ClH/c24-20-7-9-22-19(16-20)6-8-21(23(22)26)18-11-14-25(15-12-18)13-10-17-4-2-1-3-5-17;/h1-5,7,9,16,18,21H,6,8,10-15H2;1H.
What are the key properties of 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride has a molecular weight of 404.38 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is sourced from PubChem (CID 45261787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).