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

C22H26ClNO — CID 45261755

IUPAC1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H25NO.ClH/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18;/h1-9H,10-17H2;1H
InChIKeyQHPXVDMSJUUIHL-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.56
Rot. Bonds3

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

1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (PubChem CID 45261755) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is 1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Name1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
PubChem CID45261755
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC Name1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H25NO.ClH/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18;/h1-9H,10-17H2;1H
InChIKeyQHPXVDMSJUUIHL-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of 1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (CID 45261755) is 1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for 1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for 1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is Cl.O=C1c2ccccc2CCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The InChIKey is QHPXVDMSJUUIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO.ClH/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18;/h1-9H,10-17H2;1H.
What are the key properties of 1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-phenylethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 45261755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).