1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol

C23H33N3O5 — CID 42519703

IUPAC1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol
SMILESCOc1cc(CNCCOc2cccnc2)ccc1OC[C@H](O)CN1CCC(O)CC1
InChIInChI=1S/C23H33N3O5/c1-29-23-13-18(14-25-9-12-30-21-3-2-8-24-15-21)4-5-22(23)31-17-20(28)16-26-10-6-19(27)7-11-26/h2-5,8,13,15,19-20,25,27-28H,6-7,9-12,14,16-17H2,1H3/t20-/m1/s1
InChIKeyYLXZGJUPOCJOQU-HXUWFJFHSA-N
MW431.53 g/mol
LogP1.46
Rot. Bonds12

About 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol

1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol (PubChem CID 42519703) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol
PubChem CID42519703
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol
SMILESCOc1cc(CNCCOc2cccnc2)ccc1OC[C@H](O)CN1CCC(O)CC1
InChIInChI=1S/C23H33N3O5/c1-29-23-13-18(14-25-9-12-30-21-3-2-8-24-15-21)4-5-22(23)31-17-20(28)16-26-10-6-19(27)7-11-26/h2-5,8,13,15,19-20,25,27-28H,6-7,9-12,14,16-17H2,1H3/t20-/m1/s1
InChIKeyYLXZGJUPOCJOQU-HXUWFJFHSA-N
XLogP1.46
TPSA96.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol 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

(2R)-1-(azocan-1-yl)-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propan-2-ol
CID 42198394
1-(azocan-1-yl)-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propan-2-ol
CID 45238100
(2S)-1-[2-methoxy-4-[(2-phenoxyethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29027193
1-[2-hydroxy-3-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidin-4-ol
CID 45232482
1-[(2S)-3-[4-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 30851907
1-[(2R)-3-[4-[[(3-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 25371781
1-[(2S)-2-hydroxy-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]propyl]piperidin-4-ol
CID 42212119
1-[(2R)-2-hydroxy-3-[4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methoxyphenoxy]propyl]piperidin-4-ol
CID 42393375
1-[3-[4-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 45203135
1-[3-[4-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 45172860
(2R)-1-[2-methoxy-4-[(2-propan-2-yloxyethylamino)methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 26401319
1-[2-hydroxy-3-[2-methoxy-4-[[3-(4-methyl-1,3-thiazol-5-yl)propylamino]methyl]phenoxy]propyl]piperidin-4-ol
CID 45211381

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol?
The IUPAC name of 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol (CID 42519703) is 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol is COc1cc(CNCCOc2cccnc2)ccc1OC[C@H](O)CN1CCC(O)CC1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol?
The InChIKey is YLXZGJUPOCJOQU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-29-23-13-18(14-25-9-12-30-21-3-2-8-24-15-21)4-5-22(23)31-17-20(28)16-26-10-6-19(27)7-11-26/h2-5,8,13,15,19-20,25,27-28H,6-7,9-12,14,16-17H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol?
1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol has a molecular weight of 431.53 g/mol, XLogP of 1.46, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propyl]piperidin-4-ol is sourced from PubChem (CID 42519703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).