1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol

C18H23N3O3 — CID 70653946

IUPAC1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol
SMILESCOc1ccc(Nc2ccnc(N3CCC(O)CC3)c2)cc1OC
InChIInChI=1S/C18H23N3O3/c1-23-16-4-3-13(11-17(16)24-2)20-14-5-8-19-18(12-14)21-9-6-15(22)7-10-21/h3-5,8,11-12,15,22H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyNICCJOSEXHNTLC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol

1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol (PubChem CID 70653946) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol
PubChem CID70653946
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol
SMILESCOc1ccc(Nc2ccnc(N3CCC(O)CC3)c2)cc1OC
InChIInChI=1S/C18H23N3O3/c1-23-16-4-3-13(11-17(16)24-2)20-14-5-8-19-18(12-14)21-9-6-15(22)7-10-21/h3-5,8,11-12,15,22H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyNICCJOSEXHNTLC-UHFFFAOYSA-N
XLogP2.80
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol
CID 67171308
4-(hydroxymethyl)-1-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]piperidin-4-ol
CID 67171025
1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol
CID 68631814
1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol
CID 74251022
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
N-(3,4-dimethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958078
4-N-(3,4-dimethoxyphenyl)-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112866539
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dimethoxyanilino)-2-pyridinyl]methanone
CID 109213815
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol (CID 70653946) is 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol is COc1ccc(Nc2ccnc(N3CCC(O)CC3)c2)cc1OC.
What is the InChIKey of 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol?
The InChIKey is NICCJOSEXHNTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-16-4-3-13(11-17(16)24-2)20-14-5-8-19-18(12-14)21-9-6-15(22)7-10-21/h3-5,8,11-12,15,22H,6-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol?
1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol has a molecular weight of 329.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 70653946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).