4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole

C13H18N2O — CID 115075917

IUPAC4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
SMILESc1cc2c(c(OC3CCCNC3)c1)CNC2
InChIInChI=1S/C13H18N2O/c1-3-10-7-15-9-12(10)13(5-1)16-11-4-2-6-14-8-11/h1,3,5,11,14-15H,2,4,6-9H2
InChIKeyXXNVTCRRPISIPS-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds2

About 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole

4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole (PubChem CID 115075917) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
PubChem CID115075917
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
SMILESc1cc2c(c(OC3CCCNC3)c1)CNC2
InChIInChI=1S/C13H18N2O/c1-3-10-7-15-9-12(10)13(5-1)16-11-4-2-6-14-8-11/h1,3,5,11,14-15H,2,4,6-9H2
InChIKeyXXNVTCRRPISIPS-UHFFFAOYSA-N
XLogP1.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine
CID 26191291
2-methyl-4-piperidin-3-yloxy-1,3-dihydroisoindole
CID 84695982
4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
CID 115075824
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
CID 26191920
3-(2-iodophenoxy)piperidine
CID 56831165
(3R)-3-phenoxypiperidine
CID 42553363
(3R)-3-(2-piperidin-4-ylphenoxy)piperidine
CID 58817373
2-methyl-4-pyrrolidin-3-yloxy-1,3-dihydroisoindole
CID 84683934
8-[(3R)-piperidin-3-yl]oxyquinoline
CID 26191562
5-(1-methylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076283
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole (CID 115075917) is 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole is c1cc2c(c(OC3CCCNC3)c1)CNC2.
What is the InChIKey of 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole?
The InChIKey is XXNVTCRRPISIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-10-7-15-9-12(10)13(5-1)16-11-4-2-6-14-8-11/h1,3,5,11,14-15H,2,4,6-9H2.
What are the key properties of 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole?
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole has a molecular weight of 218.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115075917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).