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

C21H30ClNO — CID 45261752

IUPAC1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C21H29NO.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;/h4-5,8-9,17H,1-3,6-7,10-16H2;1H
InChIKeyXFNVJEAESHOKTJ-UHFFFAOYSA-N
MW347.93 g/mol
LogP4.90
Rot. Bonds2

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

1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (PubChem CID 45261752) has the molecular formula C21H30ClNO and a molecular weight of 347.93 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Name1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
PubChem CID45261752
Molecular FormulaC21H30ClNO
Molecular Weight347.93 g/mol
Exact Mass347.20
IUPAC Name1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C21H29NO.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;/h4-5,8-9,17H,1-3,6-7,10-16H2;1H
InChIKeyXFNVJEAESHOKTJ-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tolperisone Hydrochloride
CID 92965
Eperisone Hydrochloride
CID 123698
Nepinalone
CID 3047788
4-(4-Butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 9948320
1(2H)-Naphthalenone, 2-((dimethylamino)methyl)-3,4-dihydro-, hydrochloride (1:1)
CID 199867
(1-Phenethyl-piperidin-4-yl)-phenyl-methanone
CID 10379653
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 9886130
1-[3-((S)-1-Propyl-piperidin-3-yl)-phenyl]-ethanone
CID 10377227
Dexnafenodone
CID 65834
1,2-Diphenyl-3-(1-piperidinyl)-1-propanone
CID 89341
1(2H)-Naphthalenone, 3,4-dihydro-2-((dimethylamino)methyl)-
CID 23812
3-(4-Benzyl-piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 11407131

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of 1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (CID 45261752) is 1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for 1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for 1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is Cl.O=C1c2ccccc2CCC12CCN(CC1CCCCC1)CC2.
What is the InChIKey of 1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The InChIKey is XFNVJEAESHOKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO.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;/h4-5,8-9,17H,1-3,6-7,10-16H2;1H.
What are the key properties of 1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 45261752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).