1-[6-(4-tert-Butyl-cyclohexyloxy)-naphthalen-2-ylmethyl]-4-propyl-piperidine-4-carboxylic acid

HCID 60162829
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Basic information

Standard SMILES
CCCC1(C(=O)O)CCN(Cc2ccc3cc(OC4CCC(C(C)(C)C)CC4)ccc3c2)CC1
InChIKey
COOVQCGYVQWMBJ-UHFFFAOYSA-N
Molecular formula
C30H43NO3
Average molar mass
465.7 g/mol
Monoisotopic mass
465.32429423

Names & identifiers

Preferred name
1-[6-(4-tert-Butyl-cyclohexyloxy)-naphthalen-2-ylmethyl]-4-propyl-piperidine-4-carboxylic acid
IUPAC
1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-propylpiperidine-4-carboxylic acid

Names & synonyms

SCHEMBL12470744SCHEMBL16309017SCHEMBL29700550COOVQCGYVQWMBJ-UHFFFAOYSA-N1-[6-(4-tert-Butyl-cyclohexyloxy)-naphthalen-2-ylmethyl]-4-propyl-piperidine-4-carboxylic acid

Database identifiers

PubChem CID
60162829

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
34

Related reactions

1 records
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Compound notes

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