2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine

C16H23NO2 — CID 117046561

IUPAC2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
SMILESCOc1cccc2c1OC(C1CCCCN1C)CC2
InChIInChI=1S/C16H23NO2/c1-17-11-4-3-7-13(17)14-10-9-12-6-5-8-15(18-2)16(12)19-14/h5-6,8,13-14H,3-4,7,9-11H2,1-2H3
InChIKeyXXXSBWIHRZDPIL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds2

About 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine

2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine (PubChem CID 117046561) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine.

Molecular Properties

Compound Name2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
PubChem CID117046561
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
SMILESCOc1cccc2c1OC(C1CCCCN1C)CC2
InChIInChI=1S/C16H23NO2/c1-17-11-4-3-7-13(17)14-10-9-12-6-5-8-15(18-2)16(12)19-14/h5-6,8,13-14H,3-4,7,9-11H2,1-2H3
InChIKeyXXXSBWIHRZDPIL-UHFFFAOYSA-N
XLogP2.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
CID 22593685
(2R)-2-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-5-ol
CID 125042035
(2S)-8-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70128617
(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol
CID 10220538
(4aS,10aS)-9-methoxy-4-methyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazine
CID 44553780
(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603865
(3aR,9bS)-9-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole;hydrochloride
CID 67720360
(7aS)-1-methyl-6-pyrrolidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;1,2-dimethoxybenzene;ethane
CID 171567539
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
8-methoxy-3,4-dihydro-2H-1,2-benzoxazine
CID 175880919
[(3aR,8aR)-1-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 110136269
3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 154037863

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine?
The IUPAC name of 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine (CID 117046561) is 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine.
What is the SMILES notation for 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine?
The canonical SMILES for 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine is COc1cccc2c1OC(C1CCCCN1C)CC2.
What is the InChIKey of 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine?
The InChIKey is XXXSBWIHRZDPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-11-4-3-7-13(17)14-10-9-12-6-5-8-15(18-2)16(12)19-14/h5-6,8,13-14H,3-4,7,9-11H2,1-2H3.
What are the key properties of 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine?
2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine has a molecular weight of 261.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine is sourced from PubChem (CID 117046561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).