2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine

C29H51N5O2 — CID 5232947

IUPAC2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine
SMILESCOC(C1=CC=CC(C(OC)(C2CCCCN2)C2CCCCN2)N1)(C1CCCCN1)C1CCCCN1
InChIInChI=1S/C29H51N5O2/c1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25/h11,16-17,22-26,30-34H,3-10,12-15,18-21H2,1-2H3
InChIKeyNXPAAHSLJDOCNF-UHFFFAOYSA-N
MW501.76 g/mol
LogP2.74
Rot. Bonds8

About 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine

2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine (PubChem CID 5232947) has the molecular formula C29H51N5O2 and a molecular weight of 501.76 g/mol. Its IUPAC name is 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine
PubChem CID5232947
Molecular FormulaC29H51N5O2
Molecular Weight501.76 g/mol
Exact Mass501.40
IUPAC Name2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine
SMILESCOC(C1=CC=CC(C(OC)(C2CCCCN2)C2CCCCN2)N1)(C1CCCCN1)C1CCCCN1
InChIInChI=1S/C29H51N5O2/c1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25/h11,16-17,22-26,30-34H,3-10,12-15,18-21H2,1-2H3
InChIKeyNXPAAHSLJDOCNF-UHFFFAOYSA-N
XLogP2.74
TPSA78.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.76
LogP ≤ 52.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,2-dihydropyridin-6-yl)-1-piperidin-2-ylpropan-1-ol
CID 5251420
2-piperidin-2-ylpropan-2-amine
CID 55284786
bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol
CID 102508076
(2S)-2-methoxypiperidine
CID 92859639
methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
CID 138501092
2-(azepan-2-yl)-1,1-dimethoxypropan-2-ol
CID 66037888
2-methoxypiperidine;hydrochloride
CID 12501435
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
(2S)-2-(trifluoromethyl)azepane
CID 52810921
2-(2-methylbutan-2-yl)piperidine
CID 118553273
[2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate
CID 174505516
2-piperidin-2-ylpropan-2-yl formate
CID 18700209

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine?
The IUPAC name of 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine (CID 5232947) is 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine.
What is the SMILES notation for 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine?
The canonical SMILES for 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine is COC(C1=CC=CC(C(OC)(C2CCCCN2)C2CCCCN2)N1)(C1CCCCN1)C1CCCCN1.
What is the InChIKey of 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine?
The InChIKey is NXPAAHSLJDOCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51N5O2/c1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25/h11,16-17,22-26,30-34H,3-10,12-15,18-21H2,1-2H3.
What are the key properties of 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine?
2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine has a molecular weight of 501.76 g/mol, XLogP of 2.74, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[methoxy-di(piperidin-2-yl)methyl]-1,2-dihydropyridine is sourced from PubChem (CID 5232947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).