6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C16H24N2O2 — CID 82188264

IUPAC6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(N)C(CN1CCCCC1)CO2
InChIInChI=1S/C16H24N2O2/c1-19-13-5-6-15-14(9-13)16(17)12(11-20-15)10-18-7-3-2-4-8-18/h5-6,9,12,16H,2-4,7-8,10-11,17H2,1H3
InChIKeyGVAPWFRQAOXJDD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds3

About 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188264) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188264
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(N)C(CN1CCCCC1)CO2
InChIInChI=1S/C16H24N2O2/c1-19-13-5-6-15-14(9-13)16(17)12(11-20-15)10-18-7-3-2-4-8-18/h5-6,9,12,16H,2-4,7-8,10-11,17H2,1H3
InChIKeyGVAPWFRQAOXJDD-UHFFFAOYSA-N
XLogP2.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188018
6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188101
3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 82188114
5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188162
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
1-[2-[4-(6-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 18355487
6-ethoxy-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-amine
CID 82626425
8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188064
(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
CID 125488470
2-[(3aR,9bR)-8-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethanamine
CID 21309100
8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188074

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82188264) is 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(N)C(CN1CCCCC1)CO2.
What is the InChIKey of 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GVAPWFRQAOXJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-13-5-6-15-14(9-13)16(17)12(11-20-15)10-18-7-3-2-4-8-18/h5-6,9,12,16H,2-4,7-8,10-11,17H2,1H3.
What are the key properties of 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 276.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).