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

C17H24N2O — CID 59069334

IUPAC(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone
SMILESCc1cc2c(cc1C)CN(C(=O)C1CCNCC1)CC2
InChIInChI=1S/C17H24N2O/c1-12-9-15-5-8-19(11-16(15)10-13(12)2)17(20)14-3-6-18-7-4-14/h9-10,14,18H,3-8,11H2,1-2H3
InChIKeyZDFGCVXEFRNPNA-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.19
Rot. Bonds1

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

(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone (PubChem CID 59069334) 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-4-ylmethanone.

Molecular Properties

Compound Name(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone
PubChem CID59069334
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone
SMILESCc1cc2c(cc1C)CN(C(=O)C1CCNCC1)CC2
InChIInChI=1S/C17H24N2O/c1-12-9-15-5-8-19(11-16(15)10-13(12)2)17(20)14-3-6-18-7-4-14/h9-10,14,18H,3-8,11H2,1-2H3
InChIKeyZDFGCVXEFRNPNA-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-3-ylmethanone
CID 59069214
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712640
9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
CID 159586551
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119679792
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47180816
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120618676
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119679753
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 110689690
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(5S)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 99717039
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone?
The IUPAC name of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone (CID 59069334) is (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone is Cc1cc2c(cc1C)CN(C(=O)C1CCNCC1)CC2.
What is the InChIKey of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone?
The InChIKey is ZDFGCVXEFRNPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-9-15-5-8-19(11-16(15)10-13(12)2)17(20)14-3-6-18-7-4-14/h9-10,14,18H,3-8,11H2,1-2H3.
What are the key properties of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone?
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-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-4-ylmethanone is sourced from PubChem (CID 59069334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).