1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine

C18H27NO2 — CID 118889658

IUPAC1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine
SMILESc1ccc2c(c1)OCCC2OCCCCN1CCCCC1
InChIInChI=1S/C18H27NO2/c1-4-11-19(12-5-1)13-6-7-14-20-18-10-15-21-17-9-3-2-8-16(17)18/h2-3,8-9,18H,1,4-7,10-15H2
InChIKeyIFQLXTYLEWWBDE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.79
Rot. Bonds6

About 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine

1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine (PubChem CID 118889658) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine
PubChem CID118889658
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine
SMILESc1ccc2c(c1)OCCC2OCCCCN1CCCCC1
InChIInChI=1S/C18H27NO2/c1-4-11-19(12-5-1)13-6-7-14-20-18-10-15-21-17-9-3-2-8-16(17)18/h2-3,8-9,18H,1,4-7,10-15H2
InChIKeyIFQLXTYLEWWBDE-UHFFFAOYSA-N
XLogP3.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine?
The IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine (CID 118889658) is 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine is c1ccc2c(c1)OCCC2OCCCCN1CCCCC1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine?
The InChIKey is IFQLXTYLEWWBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-11-19(12-5-1)13-6-7-14-20-18-10-15-21-17-9-3-2-8-16(17)18/h2-3,8-9,18H,1,4-7,10-15H2.
What are the key properties of 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine?
1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine has a molecular weight of 289.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-chromen-4-yloxy)butyl]piperidine is sourced from PubChem (CID 118889658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).