4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine

C14H19NO2 — CID 129278195

IUPAC4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine
SMILESc1cc2c(cc1OC1CCNCC1)COCC2
InChIInChI=1S/C14H19NO2/c1-2-14(17-13-3-6-15-7-4-13)9-12-10-16-8-5-11(1)12/h1-2,9,13,15H,3-8,10H2
InChIKeyIPJPZCQXVDWISS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds2

About 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine

4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine (PubChem CID 129278195) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine
PubChem CID129278195
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine
SMILESc1cc2c(cc1OC1CCNCC1)COCC2
InChIInChI=1S/C14H19NO2/c1-2-14(17-13-3-6-15-7-4-13)9-12-10-16-8-5-11(1)12/h1-2,9,13,15H,3-8,10H2
InChIKeyIPJPZCQXVDWISS-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine?
The IUPAC name of 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine (CID 129278195) is 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine?
The canonical SMILES for 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine is c1cc2c(cc1OC1CCNCC1)COCC2.
What is the InChIKey of 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine?
The InChIKey is IPJPZCQXVDWISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-14(17-13-3-6-15-7-4-13)9-12-10-16-8-5-11(1)12/h1-2,9,13,15H,3-8,10H2.
What are the key properties of 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine?
4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine has a molecular weight of 233.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine is sourced from PubChem (CID 129278195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).