6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde

C18H21N3O2 — CID 167863799

IUPAC6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde
SMILESCOc1ccc(N2CCC(Nc3ccc(C=O)cn3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-5-3-16(4-6-17)21-10-8-15(9-11-21)20-18-7-2-14(13-22)12-19-18/h2-7,12-13,15H,8-11H2,1H3,(H,19,20)
InChIKeyOVHBNSJDRDSAHU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.98
Rot. Bonds5

About 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde

6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde (PubChem CID 167863799) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde
PubChem CID167863799
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde
SMILESCOc1ccc(N2CCC(Nc3ccc(C=O)cn3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-23-17-5-3-16(4-6-17)21-10-8-15(9-11-21)20-18-7-2-14(13-22)12-19-18/h2-7,12-13,15H,8-11H2,1H3,(H,19,20)
InChIKeyOVHBNSJDRDSAHU-UHFFFAOYSA-N
XLogP2.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopropylamino)pyridine-3-carbaldehyde;molecular hydrogen
CID 143883951
N-cyclopropyl-5-methoxypyridin-2-amine
CID 106503930
2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine
CID 133443170
(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide
CID 87637028
[6-(cyclopentylamino)pyridazin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109112159
4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide
CID 133314091
[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109247542
N-(azetidin-3-yl)-5-methoxypyridin-2-amine
CID 106504454
4-[6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464354
N-cyclohexyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884822
6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
CID 154757700
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde (CID 167863799) is 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde is COc1ccc(N2CCC(Nc3ccc(C=O)cn3)CC2)cc1.
What is the InChIKey of 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde?
The InChIKey is OVHBNSJDRDSAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-17-5-3-16(4-6-17)21-10-8-15(9-11-21)20-18-7-2-14(13-22)12-19-18/h2-7,12-13,15H,8-11H2,1H3,(H,19,20).
What are the key properties of 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde?
6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde has a molecular weight of 311.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 167863799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).