1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine

C17H25NO2 — CID 141195419

IUPAC1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine
SMILESc1cc2c(cc1OCCCN1CCCCC1)OCCC2
InChIInChI=1S/C17H25NO2/c1-2-9-18(10-3-1)11-5-13-19-16-8-7-15-6-4-12-20-17(15)14-16/h7-8,14H,1-6,9-13H2
InChIKeyZXTAQTNUAZYRQT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.27
Rot. Bonds5

About 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine

1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine (PubChem CID 141195419) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine
PubChem CID141195419
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine
SMILESc1cc2c(cc1OCCCN1CCCCC1)OCCC2
InChIInChI=1S/C17H25NO2/c1-2-9-18(10-3-1)11-5-13-19-16-8-7-15-6-4-12-20-17(15)14-16/h7-8,14H,1-6,9-13H2
InChIKeyZXTAQTNUAZYRQT-UHFFFAOYSA-N
XLogP3.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.27
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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Related Compounds

7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317761
6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317763
1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine
CID 142171774
4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide
CID 141195387
1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole
CID 174585174
bis[7-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-chromen-4-yl]methanone
CID 174585250
1-[3-[[6-(pyrrolidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]oxy]propyl]piperidine
CID 11545198
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
2-methylsulfanyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
CID 142171872
3-benzyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 10429768
3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide
CID 141195353
3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one
CID 141195466

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine?
The IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine (CID 141195419) is 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine is c1cc2c(cc1OCCCN1CCCCC1)OCCC2.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine?
The InChIKey is ZXTAQTNUAZYRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-9-18(10-3-1)11-5-13-19-16-8-7-15-6-4-12-20-17(15)14-16/h7-8,14H,1-6,9-13H2.
What are the key properties of 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine?
1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine has a molecular weight of 275.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine is sourced from PubChem (CID 141195419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).