6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline

C16H24N2O — CID 116995669

IUPAC6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(C)C2C1CCCNC1
InChIInChI=1S/C16H24N2O/c1-18-9-7-12-10-14(19-2)5-6-15(12)16(18)13-4-3-8-17-11-13/h5-6,10,13,16-17H,3-4,7-9,11H2,1-2H3
InChIKeyXYNVQUQTMDXWEP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds2

About 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline

6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 116995669) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID116995669
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(C)C2C1CCCNC1
InChIInChI=1S/C16H24N2O/c1-18-9-7-12-10-14(19-2)5-6-15(12)16(18)13-4-3-8-17-11-13/h5-6,10,13,16-17H,3-4,7-9,11H2,1-2H3
InChIKeyXYNVQUQTMDXWEP-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine
CID 116995675
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 79368569
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 154454244
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]propan-2-amine
CID 116995663
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]cyclopropanamine
CID 116995664
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995793
(3aS,9bS)-7-methoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 141001034

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline (CID 116995669) is 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(C)C2C1CCCNC1.
What is the InChIKey of 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XYNVQUQTMDXWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-9-7-12-10-14(19-2)5-6-15(12)16(18)13-4-3-8-17-11-13/h5-6,10,13,16-17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 260.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 116995669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).