1-(3,4-dihydro-1H-isochromen-6-yl)piperidine

C14H19NO — CID 175887953

IUPAC1-(3,4-dihydro-1H-isochromen-6-yl)piperidine
SMILESc1cc2c(cc1N1CCCCC1)CCOC2
InChIInChI=1S/C14H19NO/c1-2-7-15(8-3-1)14-5-4-13-11-16-9-6-12(13)10-14/h4-5,10H,1-3,6-9,11H2
InChIKeyKIXJEVTWDGJHCB-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.75
Rot. Bonds1

About 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine

1-(3,4-dihydro-1H-isochromen-6-yl)piperidine (PubChem CID 175887953) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-6-yl)piperidine
PubChem CID175887953
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(3,4-dihydro-1H-isochromen-6-yl)piperidine
SMILESc1cc2c(cc1N1CCCCC1)CCOC2
InChIInChI=1S/C14H19NO/c1-2-7-15(8-3-1)14-5-4-13-11-16-9-6-12(13)10-14/h4-5,10H,1-3,6-9,11H2
InChIKeyKIXJEVTWDGJHCB-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine (CID 175887953) is 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine is c1cc2c(cc1N1CCCCC1)CCOC2.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine?
The InChIKey is KIXJEVTWDGJHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-7-15(8-3-1)14-5-4-13-11-16-9-6-12(13)10-14/h4-5,10H,1-3,6-9,11H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine?
1-(3,4-dihydro-1H-isochromen-6-yl)piperidine has a molecular weight of 217.31 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-6-yl)piperidine is sourced from PubChem (CID 175887953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).