4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid

C26H28N2O3 — CID 71257969

IUPAC4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)CC1
InChIInChI=1S/C26H28N2O3/c29-25(30)27-16-14-26(31,15-17-27)23-12-7-13-24(18-23)28(19-21-8-3-1-4-9-21)20-22-10-5-2-6-11-22/h1-13,18,31H,14-17,19-20H2,(H,29,30)
InChIKeyFYUXTOKIXCCJCI-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.85
Rot. Bonds6

About 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid

4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 71257969) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid
PubChem CID71257969
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)CC1
InChIInChI=1S/C26H28N2O3/c29-25(30)27-16-14-26(31,15-17-27)23-12-7-13-24(18-23)28(19-21-8-3-1-4-9-21)20-22-10-5-2-6-11-22/h1-13,18,31H,14-17,19-20H2,(H,29,30)
InChIKeyFYUXTOKIXCCJCI-UHFFFAOYSA-N
XLogP4.85
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid (CID 71257969) is 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CCC(O)(c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)CC1.
What is the InChIKey of 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is FYUXTOKIXCCJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c29-25(30)27-16-14-26(31,15-17-27)23-12-7-13-24(18-23)28(19-21-8-3-1-4-9-21)20-22-10-5-2-6-11-22/h1-13,18,31H,14-17,19-20H2,(H,29,30).
What are the key properties of 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 416.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 71257969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).