4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol

C20H27N3O5 — CID 67171025

IUPAC4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol
SMILESCOc1cc(Nc2ccnc(N3CCC(O)(CO)CC3)c2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O5/c1-26-16-10-15(11-17(27-2)19(16)28-3)22-14-4-7-21-18(12-14)23-8-5-20(25,13-24)6-9-23/h4,7,10-12,24-25H,5-6,8-9,13H2,1-3H3,(H,21,22)
InChIKeyCNGNBOKANGAUBN-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.17
Rot. Bonds7

About 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol

4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol (PubChem CID 67171025) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol
PubChem CID67171025
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol
SMILESCOc1cc(Nc2ccnc(N3CCC(O)(CO)CC3)c2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O5/c1-26-16-10-15(11-17(27-2)19(16)28-3)22-14-4-7-21-18(12-14)23-8-5-20(25,13-24)6-9-23/h4,7,10-12,24-25H,5-6,8-9,13H2,1-3H3,(H,21,22)
InChIKeyCNGNBOKANGAUBN-UHFFFAOYSA-N
XLogP2.17
TPSA96.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol with MolForge

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Related Compounds

4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol
CID 67171308
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol
CID 70653946
1-[4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888949
morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109206544
6-(azepan-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112864677
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109201155
N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109202633
2-[(3S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidin-3-yl]-N,N-dimethylacetamide
CID 142727190
1-[8-bromo-4-[4-methoxy-3-(trifluoromethyl)anilino]pyrido[4,3-d]pyrimidin-2-yl]-4-(hydroxymethyl)piperidin-4-ol
CID 150341936

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol (CID 67171025) is 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol is COc1cc(Nc2ccnc(N3CCC(O)(CO)CC3)c2)cc(OC)c1OC.
What is the InChIKey of 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol?
The InChIKey is CNGNBOKANGAUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-26-16-10-15(11-17(27-2)19(16)28-3)22-14-4-7-21-18(12-14)23-8-5-20(25,13-24)6-9-23/h4,7,10-12,24-25H,5-6,8-9,13H2,1-3H3,(H,21,22).
What are the key properties of 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol?
4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol has a molecular weight of 389.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 67171025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).