3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C17H24N2O2 — CID 115304567

IUPAC3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)C2OCCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O2/c1-17(18-2)8-10-19(11-9-17)16(20)15-14-6-4-3-5-13(14)7-12-21-15/h3-6,15,18H,7-12H2,1-2H3
InChIKeyMLPSTWUUHRAUAD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.90
Rot. Bonds2

About 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 115304567) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID115304567
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)C2OCCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O2/c1-17(18-2)8-10-19(11-9-17)16(20)15-14-6-4-3-5-13(14)7-12-21-15/h3-6,15,18H,7-12H2,1-2H3
InChIKeyMLPSTWUUHRAUAD-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
[4-(1-aminoethyl)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 63594980
2,3-dihydro-1-benzofuran-3-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304370
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 119995078
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone;hydrochloride
CID 119995077
2,3-dihydro-1-benzofuran-2-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304626
(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 79868678
[(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 124759622
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanone
CID 124677546
3,4-dihydro-1H-isochromen-1-yl-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 126808039
3,4-dihydro-1H-isochromen-1-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883561
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone;hydrochloride
CID 120727729

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 115304567) is 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)C2OCCc3ccccc32)CC1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is MLPSTWUUHRAUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(18-2)8-10-19(11-9-17)16(20)15-14-6-4-3-5-13(14)7-12-21-15/h3-6,15,18H,7-12H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 115304567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).