(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone

C17H24N2O — CID 59069214

IUPAC(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
SMILESCc1cc2c(cc1C)CN(C(=O)C1CCCNC1)CC2
InChIInChI=1S/C17H24N2O/c1-12-8-14-5-7-19(11-16(14)9-13(12)2)17(20)15-4-3-6-18-10-15/h8-9,15,18H,3-7,10-11H2,1-2H3
InChIKeyNPFHFZGCLNBLPC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.19
Rot. Bonds1

About (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone

(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone (PubChem CID 59069214) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
PubChem CID59069214
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
SMILESCc1cc2c(cc1C)CN(C(=O)C1CCCNC1)CC2
InChIInChI=1S/C17H24N2O/c1-12-8-14-5-7-19(11-16(14)9-13(12)2)17(20)15-4-3-6-18-10-15/h8-9,15,18H,3-7,10-11H2,1-2H3
InChIKeyNPFHFZGCLNBLPC-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone
CID 59069252
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone
CID 59069334
(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
CID 119340713
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
CID 119312758
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712640
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-3-ylpropan-1-one
CID 57445005
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119282090
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119679753
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone?
The IUPAC name of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone (CID 59069214) is (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone is Cc1cc2c(cc1C)CN(C(=O)C1CCCNC1)CC2.
What is the InChIKey of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone?
The InChIKey is NPFHFZGCLNBLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-8-14-5-7-19(11-16(14)9-13(12)2)17(20)15-4-3-6-18-10-15/h8-9,15,18H,3-7,10-11H2,1-2H3.
What are the key properties of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone?
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 59069214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).