(8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

C15H20N2O2 — CID 9170114

IUPAC(8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESc1c2c(cc3c1OCO3)[C@@H](N1CCCCC1)CNC2
InChIInChI=1S/C15H20N2O2/c1-2-4-17(5-3-1)13-9-16-8-11-6-14-15(7-12(11)13)19-10-18-14/h6-7,13,16H,1-5,8-10H2/t13-/m0/s1
InChIKeyVRYGNUMHAKLMMP-ZDUSSCGKSA-N
MW260.34 g/mol
LogP2.05
Rot. Bonds1

About (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

(8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 9170114) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name(8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID9170114
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESc1c2c(cc3c1OCO3)[C@@H](N1CCCCC1)CNC2
InChIInChI=1S/C15H20N2O2/c1-2-4-17(5-3-1)13-9-16-8-11-6-14-15(7-12(11)13)19-10-18-14/h6-7,13,16H,1-5,8-10H2/t13-/m0/s1
InChIKeyVRYGNUMHAKLMMP-ZDUSSCGKSA-N
XLogP2.05
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline with MolForge

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Related Compounds

(8R)-8-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 9170085
(8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 9170092
(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169081
(4R)-N,N-dimethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170189
(4S)-7-fluoro-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169066
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170181
(4S)-N,N-diethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170274
(4S)-4-(azepan-1-yl)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170280
(8S)-N,N-dipropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-8-amine
CID 9170054
4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169018

Frequently Asked Questions

What is the IUPAC name of (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CID 9170114) is (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is c1c2c(cc3c1OCO3)[C@@H](N1CCCCC1)CNC2.
What is the InChIKey of (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is VRYGNUMHAKLMMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-4-17(5-3-1)13-9-16-8-11-6-14-15(7-12(11)13)19-10-18-14/h6-7,13,16H,1-5,8-10H2/t13-/m0/s1.
What are the key properties of (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
(8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 260.34 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 9170114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).