2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol

C28H39N3O8 — CID 171700644

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
SMILESCC1(C)CC(N(Cc2ccncc2)Cc2ccc(O)cc2)CC(C)(C)N1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C22H31N3O.C6H8O7/c1-21(2)13-19(14-22(3,4)24-21)25(16-18-9-11-23-12-10-18)15-17-5-7-20(26)8-6-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-12,19,24,26H,13-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyNMNOGXRDLTVVOB-UHFFFAOYSA-N
MW545.63 g/mol
LogP2.85
Rot. Bonds10

About 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol

2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 171700644) has the molecular formula C28H39N3O8 and a molecular weight of 545.63 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
PubChem CID171700644
Molecular FormulaC28H39N3O8
Molecular Weight545.63 g/mol
Exact Mass545.27
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
SMILESCC1(C)CC(N(Cc2ccncc2)Cc2ccc(O)cc2)CC(C)(C)N1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C22H31N3O.C6H8O7/c1-21(2)13-19(14-22(3,4)24-21)25(16-18-9-11-23-12-10-18)15-17-5-7-20(26)8-6-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-12,19,24,26H,13-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyNMNOGXRDLTVVOB-UHFFFAOYSA-N
XLogP2.85
TPSA180.52 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.63
LogP ≤ 52.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzoate
CID 171669887
2-hydroxypropane-1,2,3-tricarboxylic acid;4-methyl-2-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
CID 171672018
N-benzyl-N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118747308
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]chromen-4-one
CID 171672013
2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 171700562
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171669884
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 171700563
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 171671981
4-(hydroxymethyl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175404414
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 46962712
N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
CID 22902695
6-chloro-3-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]chromen-4-one
CID 46954420

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol (CID 171700644) is 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol is CC1(C)CC(N(Cc2ccncc2)Cc2ccc(O)cc2)CC(C)(C)N1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is NMNOGXRDLTVVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O.C6H8O7/c1-21(2)13-19(14-22(3,4)24-21)25(16-18-9-11-23-12-10-18)15-17-5-7-20(26)8-6-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-12,19,24,26H,13-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol?
2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 545.63 g/mol, XLogP of 2.85, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 171700644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).