4-chromen-5-ylidene-1-methylpiperidine

C15H17NO — CID 172739715

IUPAC4-chromen-5-ylidene-1-methylpiperidine
SMILESCN1CCC(=c2cccc3c2=CC=CO3)CC1
InChIInChI=1S/C15H17NO/c1-16-9-7-12(8-10-16)13-4-2-6-15-14(13)5-3-11-17-15/h2-6,11H,7-10H2,1H3
InChIKeyIXUNNXIPAILMEP-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.25
Rot. Bonds

About 4-chromen-5-ylidene-1-methylpiperidine

4-chromen-5-ylidene-1-methylpiperidine (PubChem CID 172739715) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-chromen-5-ylidene-1-methylpiperidine.

Molecular Properties

Compound Name4-chromen-5-ylidene-1-methylpiperidine
PubChem CID172739715
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-chromen-5-ylidene-1-methylpiperidine
SMILESCN1CCC(=c2cccc3c2=CC=CO3)CC1
InChIInChI=1S/C15H17NO/c1-16-9-7-12(8-10-16)13-4-2-6-15-14(13)5-3-11-17-15/h2-6,11H,7-10H2,1H3
InChIKeyIXUNNXIPAILMEP-UHFFFAOYSA-N
XLogP1.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chromen-5-ylidene-1-methylpiperidine?
The IUPAC name of 4-chromen-5-ylidene-1-methylpiperidine (CID 172739715) is 4-chromen-5-ylidene-1-methylpiperidine.
What is the SMILES notation for 4-chromen-5-ylidene-1-methylpiperidine?
The canonical SMILES for 4-chromen-5-ylidene-1-methylpiperidine is CN1CCC(=c2cccc3c2=CC=CO3)CC1.
What is the InChIKey of 4-chromen-5-ylidene-1-methylpiperidine?
The InChIKey is IXUNNXIPAILMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16-9-7-12(8-10-16)13-4-2-6-15-14(13)5-3-11-17-15/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-chromen-5-ylidene-1-methylpiperidine?
4-chromen-5-ylidene-1-methylpiperidine has a molecular weight of 227.31 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chromen-5-ylidene-1-methylpiperidine is sourced from PubChem (CID 172739715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).