5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine

C12H20N2O — CID 143984945

IUPAC5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine
SMILESCOC1=CNCC(CC2CCNCC2)=C1
InChIInChI=1S/C12H20N2O/c1-15-12-7-11(8-14-9-12)6-10-2-4-13-5-3-10/h7,9-10,13-14H,2-6,8H2,1H3
InChIKeyZYJVYAGELSYZSV-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.39
Rot. Bonds3

About 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine

5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine (PubChem CID 143984945) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine
PubChem CID143984945
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine
SMILESCOC1=CNCC(CC2CCNCC2)=C1
InChIInChI=1S/C12H20N2O/c1-15-12-7-11(8-14-9-12)6-10-2-4-13-5-3-10/h7,9-10,13-14H,2-6,8H2,1H3
InChIKeyZYJVYAGELSYZSV-UHFFFAOYSA-N
XLogP1.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Fluoro-2-methoxycyclohexa-1,3-dien-1-yl)piperidine
CID 144378250
2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 59686728
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
6-Ethyl-7-methoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 89109781
4-Methoxy-5-piperidin-4-yl-1,2-dihydropyridine
CID 118610282
4-Methoxy-3-piperidin-4-yl-1,2-dihydropyridine
CID 118610283
5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
6-Methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine
CID 137483332
ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 143276794
4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine
CID 143792072
4-(4-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine
CID 143792414
4-[(3E,5Z)-3-methoxyocta-1,3,5-trien-4-yl]piperidine
CID 144378253

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine?
The IUPAC name of 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine (CID 143984945) is 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine is COC1=CNCC(CC2CCNCC2)=C1.
What is the InChIKey of 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine?
The InChIKey is ZYJVYAGELSYZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-12-7-11(8-14-9-12)6-10-2-4-13-5-3-10/h7,9-10,13-14H,2-6,8H2,1H3.
What are the key properties of 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine?
5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine has a molecular weight of 208.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(piperidin-4-ylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 143984945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).