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

C21H26N2O3 — CID 69055536

IUPAC4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CN(Cc2ccccc2)Cc2ccccc2)C(O)C1
InChIInChI=1S/C21H26N2O3/c24-20-16-23(21(25)26)12-11-19(20)15-22(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)
InChIKeyZMEPDFGRISPIIU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.05
Rot. Bonds6

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

4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid (PubChem CID 69055536) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid
PubChem CID69055536
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CN(Cc2ccccc2)Cc2ccccc2)C(O)C1
InChIInChI=1S/C21H26N2O3/c24-20-16-23(21(25)26)12-11-19(20)15-22(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)
InChIKeyZMEPDFGRISPIIU-UHFFFAOYSA-N
XLogP3.05
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid
CID 67546893
(3R,4S)-4-(dibenzylamino)-3-methoxypiperidine-1-carboxylic acid
CID 70048023
(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
CID 129427984
(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 67928795
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
(3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid;2-hydroxy-2-phenylacetic acid
CID 69054201
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 119374335
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
tert-butyl 3-[2-(dibenzylamino)ethoxy]pyrrolidine-1-carboxylate
CID 178134938
(3R)-3-[carboxymethyl(phenylmethoxycarbonyl)amino]pyrrolidine-1-carboxylic acid
CID 140554013

Frequently Asked Questions

What is the IUPAC name of 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid (CID 69055536) is 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CCC(CN(Cc2ccccc2)Cc2ccccc2)C(O)C1.
What is the InChIKey of 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid?
The InChIKey is ZMEPDFGRISPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-20-16-23(21(25)26)12-11-19(20)15-22(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26).
What are the key properties of 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid?
4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid has a molecular weight of 354.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 69055536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).