spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]

C14H17NO2 — CID 166736064

IUPACspiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]
SMILESc1c2c(cc3c1OCO3)CC1(CCNCC1)C2
InChIInChI=1S/C14H17NO2/c1-3-15-4-2-14(1)7-10-5-12-13(17-9-16-12)6-11(10)8-14/h5-6,15H,1-4,7-9H2
InChIKeyRMONXXYPWQYMAF-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.88
Rot. Bonds

About spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]

spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine] (PubChem CID 166736064) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine].

Molecular Properties

Compound Namespiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]
PubChem CID166736064
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namespiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]
SMILESc1c2c(cc3c1OCO3)CC1(CCNCC1)C2
InChIInChI=1S/C14H17NO2/c1-3-15-4-2-14(1)7-10-5-12-13(17-9-16-12)6-11(10)8-14/h5-6,15H,1-4,7-9H2
InChIKeyRMONXXYPWQYMAF-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]?
The IUPAC name of spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine] (CID 166736064) is spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine].
What is the SMILES notation for spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]?
The canonical SMILES for spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine] is c1c2c(cc3c1OCO3)CC1(CCNCC1)C2.
What is the InChIKey of spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]?
The InChIKey is RMONXXYPWQYMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-15-4-2-14(1)7-10-5-12-13(17-9-16-12)6-11(10)8-14/h5-6,15H,1-4,7-9H2.
What are the key properties of spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]?
spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine] has a molecular weight of 231.29 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine] is sourced from PubChem (CID 166736064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).