1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride

C21H24ClNO — CID 45261757

IUPAC1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C21H23NO.ClH/c23-20-19-9-5-4-8-18(19)10-11-21(20)12-14-22(15-13-21)16-17-6-2-1-3-7-17;/h1-9H,10-16H2;1H
InChIKeyTVTOPHUMVRLCHX-UHFFFAOYSA-N
MW341.88 g/mol
LogP4.52
Rot. Bonds2

About 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride

1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (PubChem CID 45261757) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Name1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
PubChem CID45261757
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C21H23NO.ClH/c23-20-19-9-5-4-8-18(19)10-11-21(20)12-14-22(15-13-21)16-17-6-2-1-3-7-17;/h1-9H,10-16H2;1H
InChIKeyTVTOPHUMVRLCHX-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (CID 45261757) is 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is Cl.O=C1c2ccccc2CCC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The InChIKey is TVTOPHUMVRLCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.ClH/c23-20-19-9-5-4-8-18(19)10-11-21(20)12-14-22(15-13-21)16-17-6-2-1-3-7-17;/h1-9H,10-16H2;1H.
What are the key properties of 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 45261757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).