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Structure

4-{[1-(tert-Butoxycarbonyl)piperid-4-yloxy]methyl}benzoic acid

CAS
934570-52-2
Catalog Number
ACM934570522
Category
Other Products
Molecular Formula
C18H25NO5

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Specification

Synonyms
4-{[1-(tert-butoxycarbonyl)piperid-4-yloxy]methyl}benzoic acid
What is the molecular formula of the compound referenced in PubChem CID 43811046?

The molecular formula is C18H25NO5.

What is the IUPAC name of the compound?

The IUPAC name is 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]benzoic acid.

What is the molecular weight of the compound?

The molecular weight is 335.4 g/mol.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC=C(C=C2)C(=O)O.

How many hydrogen bond donor counts are there in the compound?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in the compound?

There are 5 hydrogen bond acceptor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.5.

What is the topological polar surface area of the compound?

The topological polar surface area is 76.1 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the exact mass and monoisotopic mass of the compound?

The exact mass and monoisotopic mass are both 335.17327290 g/mol.

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