(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone

C15H18Cl2N2O — CID 119340713

IUPAC(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCc2cc(Cl)cc(Cl)c2C1
InChIInChI=1S/C15H18Cl2N2O/c16-12-6-10-3-5-19(9-13(10)14(17)7-12)15(20)11-2-1-4-18-8-11/h6-7,11,18H,1-5,8-9H2
InChIKeyBUQJVHYKMVUHBR-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.88
Rot. Bonds1

About (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone

(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone (PubChem CID 119340713) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
PubChem CID119340713
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCc2cc(Cl)cc(Cl)c2C1
InChIInChI=1S/C15H18Cl2N2O/c16-12-6-10-3-5-19(9-13(10)14(17)7-12)15(20)11-2-1-4-18-8-11/h6-7,11,18H,1-5,8-9H2
InChIKeyBUQJVHYKMVUHBR-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone
CID 119813557
1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119813536
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
CID 59069214
(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 97007021
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
CID 119312758
(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120639244
1-[3-(5,7-dichloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166411232
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone
CID 59069252
(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119813516
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81118918

Frequently Asked Questions

What is the IUPAC name of (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone?
The IUPAC name of (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone (CID 119340713) is (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCc2cc(Cl)cc(Cl)c2C1.
What is the InChIKey of (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone?
The InChIKey is BUQJVHYKMVUHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-12-6-10-3-5-19(9-13(10)14(17)7-12)15(20)11-2-1-4-18-8-11/h6-7,11,18H,1-5,8-9H2.
What are the key properties of (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone?
(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone has a molecular weight of 313.23 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 119340713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).