1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride

C22H28ClN — CID 54586712

IUPAC1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1.Cl
InChIInChI=1S/C22H27N.ClH/c1-18-8-10-19(11-9-18)17-23-15-13-22(14-16-23)12-4-6-20-5-2-3-7-21(20)22;/h2-3,5,7-11H,4,6,12-17H2,1H3;1H
InChIKeyZMRZZOFQAGWUFW-UHFFFAOYSA-N
MW341.93 g/mol
LogP5.29
Rot. Bonds2

About 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride

1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (PubChem CID 54586712) has the molecular formula C22H28ClN and a molecular weight of 341.93 g/mol. Its IUPAC name is 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
PubChem CID54586712
Molecular FormulaC22H28ClN
Molecular Weight341.93 g/mol
Exact Mass341.19
IUPAC Name1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1.Cl
InChIInChI=1S/C22H27N.ClH/c1-18-8-10-19(11-9-18)17-23-15-13-22(14-16-23)12-4-6-20-5-2-3-7-21(20)22;/h2-3,5,7-11H,4,6,12-17H2,1H3;1H
InChIKeyZMRZZOFQAGWUFW-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.93
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The IUPAC name of 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (CID 54586712) is 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is Cc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1.Cl.
What is the InChIKey of 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The InChIKey is ZMRZZOFQAGWUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N.ClH/c1-18-8-10-19(11-9-18)17-23-15-13-22(14-16-23)12-4-6-20-5-2-3-7-21(20)22;/h2-3,5,7-11H,4,6,12-17H2,1H3;1H.
What are the key properties of 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride has a molecular weight of 341.93 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-methylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is sourced from PubChem (CID 54586712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).