6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one

C22H24ClNO — CID 10450758

IUPAC6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
SMILESO=C1c2ccc(Cl)cc2CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H24ClNO/c23-19-6-7-20-18(16-19)8-10-22(21(20)25)11-14-24(15-12-22)13-9-17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyIWOPGTFNUXEULQ-UHFFFAOYSA-N
MW353.89 g/mol
LogP4.79
Rot. Bonds3

About 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one

6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one (PubChem CID 10450758) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one.

Molecular Properties

Compound Name6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
PubChem CID10450758
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC Name6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
SMILESO=C1c2ccc(Cl)cc2CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H24ClNO/c23-19-6-7-20-18(16-19)8-10-22(21(20)25)11-14-24(15-12-22)13-9-17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyIWOPGTFNUXEULQ-UHFFFAOYSA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Amiperone
CID 71101
4-[4-(4-Chlorophenyl)piperidin-1-yl]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)butan-1-one
CID 21108114
1'-Benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
CID 45261757
1'-Benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 9839491
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
3-(4-Benzyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 11406043
1'-(Cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
CID 45261752
1'-(2-Phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
CID 45261755
1'-[4-(4-Fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
CID 45261760
6-chloro-2-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 45261787

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one?
The IUPAC name of 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one (CID 10450758) is 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one.
What is the SMILES notation for 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one?
The canonical SMILES for 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one is O=C1c2ccc(Cl)cc2CCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one?
The InChIKey is IWOPGTFNUXEULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO/c23-19-6-7-20-18(16-19)8-10-22(21(20)25)11-14-24(15-12-22)13-9-17-4-2-1-3-5-17/h1-7,16H,8-15H2.
What are the key properties of 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one?
6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one has a molecular weight of 353.89 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one is sourced from PubChem (CID 10450758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).