4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride

C16H20ClNO3 — CID 71778849

IUPAC4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride
SMILESCc1cc(=O)oc2cc(OCC3CCNCC3)ccc12.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-11-8-16(18)20-15-9-13(2-3-14(11)15)19-10-12-4-6-17-7-5-12;/h2-3,8-9,12,17H,4-7,10H2,1H3;1H
InChIKeySVPCDZSWUVHZAL-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.90
Rot. Bonds3

About 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride

4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride (PubChem CID 71778849) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride
PubChem CID71778849
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride
SMILESCc1cc(=O)oc2cc(OCC3CCNCC3)ccc12.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-11-8-16(18)20-15-9-13(2-3-14(11)15)19-10-12-4-6-17-7-5-12;/h2-3,8-9,12,17H,4-7,10H2,1H3;1H
InChIKeySVPCDZSWUVHZAL-UHFFFAOYSA-N
XLogP2.90
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride?
The IUPAC name of 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride (CID 71778849) is 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride.
What is the SMILES notation for 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride?
The canonical SMILES for 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride is Cc1cc(=O)oc2cc(OCC3CCNCC3)ccc12.Cl.
What is the InChIKey of 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride?
The InChIKey is SVPCDZSWUVHZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.ClH/c1-11-8-16(18)20-15-9-13(2-3-14(11)15)19-10-12-4-6-17-7-5-12;/h2-3,8-9,12,17H,4-7,10H2,1H3;1H.
What are the key properties of 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride?
4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(piperidin-4-ylmethoxy)chromen-2-one;hydrochloride is sourced from PubChem (CID 71778849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).