8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C17H26N2O2 — CID 82188227

IUPAC8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2c1OCC(CN1CCCCC1C)C2N
InChIInChI=1S/C17H26N2O2/c1-12-6-3-4-9-19(12)10-13-11-21-17-14(16(13)18)7-5-8-15(17)20-2/h5,7-8,12-13,16H,3-4,6,9-11,18H2,1-2H3
InChIKeyAPYXQVODBVEJPK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds3

About 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188227) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188227
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2c1OCC(CN1CCCCC1C)C2N
InChIInChI=1S/C17H26N2O2/c1-12-6-3-4-9-19(12)10-13-11-21-17-14(16(13)18)7-5-8-15(17)20-2/h5,7-8,12-13,16H,3-4,6,9-11,18H2,1-2H3
InChIKeyAPYXQVODBVEJPK-UHFFFAOYSA-N
XLogP2.58
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188064
8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188183
8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188074
4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-amine
CID 66238123
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188705
(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 6610472
(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride
CID 70426824
2-(2-methoxyphenyl)-1-propylpiperidine
CID 102544278
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188264

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 82188227) is 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is COc1cccc2c1OCC(CN1CCCCC1C)C2N.
What is the InChIKey of 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is APYXQVODBVEJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-3-4-9-19(12)10-13-11-21-17-14(16(13)18)7-5-8-15(17)20-2/h5,7-8,12-13,16H,3-4,6,9-11,18H2,1-2H3.
What are the key properties of 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).