4-(6-methylcyclopenta[c]pyran-5-yl)piperidine

C14H17NO — CID 57054842

IUPAC4-(6-methylcyclopenta[c]pyran-5-yl)piperidine
SMILESCc1cc2coccc-2c1C1CCNCC1
InChIInChI=1S/C14H17NO/c1-10-8-12-9-16-7-4-13(12)14(10)11-2-5-15-6-3-11/h4,7-9,11,15H,2-3,5-6H2,1H3
InChIKeyXESFBHJMEXAKCT-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.16
Rot. Bonds1

About 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine

4-(6-methylcyclopenta[c]pyran-5-yl)piperidine (PubChem CID 57054842) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine.

Molecular Properties

Compound Name4-(6-methylcyclopenta[c]pyran-5-yl)piperidine
PubChem CID57054842
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(6-methylcyclopenta[c]pyran-5-yl)piperidine
SMILESCc1cc2coccc-2c1C1CCNCC1
InChIInChI=1S/C14H17NO/c1-10-8-12-9-16-7-4-13(12)14(10)11-2-5-15-6-3-11/h4,7-9,11,15H,2-3,5-6H2,1H3
InChIKeyXESFBHJMEXAKCT-UHFFFAOYSA-N
XLogP3.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine?
The IUPAC name of 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine (CID 57054842) is 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine.
What is the SMILES notation for 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine?
The canonical SMILES for 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine is Cc1cc2coccc-2c1C1CCNCC1.
What is the InChIKey of 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine?
The InChIKey is XESFBHJMEXAKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-8-12-9-16-7-4-13(12)14(10)11-2-5-15-6-3-11/h4,7-9,11,15H,2-3,5-6H2,1H3.
What are the key properties of 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine?
4-(6-methylcyclopenta[c]pyran-5-yl)piperidine has a molecular weight of 215.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylcyclopenta[c]pyran-5-yl)piperidine is sourced from PubChem (CID 57054842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).