2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine

C12H22N2O — CID 143984951

IUPAC2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine
SMILESCOC1CC=C(CC2CCNCC2)CN1
InChIInChI=1S/C12H22N2O/c1-15-12-3-2-11(9-14-12)8-10-4-6-13-7-5-10/h2,10,12-14H,3-9H2,1H3
InChIKeyTVOYOBPDHQNDIR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.27
Rot. Bonds3

About 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine

2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 143984951) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine
PubChem CID143984951
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine
SMILESCOC1CC=C(CC2CCNCC2)CN1
InChIInChI=1S/C12H22N2O/c1-15-12-3-2-11(9-14-12)8-10-4-6-13-7-5-10/h2,10,12-14H,3-9H2,1H3
InChIKeyTVOYOBPDHQNDIR-UHFFFAOYSA-N
XLogP1.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
1,2,3,4,4a,5,6,7-Octahydroisoquinoline;methoxymethane
CID 68830723
5-Piperidin-3-yl-1,2,3,6-tetrahydropyridine
CID 90915270
2-Methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91022622
4-[(Z)-4-methoxybut-1-enyl]piperidine
CID 164061158
4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium
CID 6942921
4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium
CID 7444343
(E)-2-cyclohexyl-N-ethyl-3-(oxan-3-yl)prop-2-en-1-amine
CID 80402483
(E)-2-cyclohexyl-3-(oxan-3-yl)-N-propylprop-2-en-1-amine
CID 80402791
2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine
CID 104881857
2-cyclohexyl-5-methoxy-4-methyl-N-propylpent-2-en-1-amine
CID 113528568
4-(methoxymethyl)-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581643

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine (CID 143984951) is 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine is COC1CC=C(CC2CCNCC2)CN1.
What is the InChIKey of 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is TVOYOBPDHQNDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-12-3-2-11(9-14-12)8-10-4-6-13-7-5-10/h2,10,12-14H,3-9H2,1H3.
What are the key properties of 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine?
2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 210.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 143984951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).