chromen-2-one;piperidine

C14H17NO2 — CID 162207704

IUPACchromen-2-one;piperidine
SMILESC1CCNCC1.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C5H11N/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-4-6-5-3-1/h1-6H;6H,1-5H2
InChIKeyZSKPNYDTKONSHA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.55
Rot. Bonds

About chromen-2-one;piperidine

chromen-2-one;piperidine (PubChem CID 162207704) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is chromen-2-one;piperidine.

Molecular Properties

Compound Namechromen-2-one;piperidine
PubChem CID162207704
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namechromen-2-one;piperidine
SMILESC1CCNCC1.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C5H11N/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-4-6-5-3-1/h1-6H;6H,1-5H2
InChIKeyZSKPNYDTKONSHA-UHFFFAOYSA-N
XLogP2.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chromen-2-one;piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chromen-2-one;copper
CID 175033656
CID 175559318
CID 175559318
chromen-2-one;1,4-dioxine
CID 175414540
chromen-2-one;4,5-dihydro-1,2-oxazole
CID 174885895
chromen-2-one;oxepan-2-one;oxolan-2-one
CID 158985869
CID 155018405
CID 155018405
chromen-2-one;quinoxaline
CID 174951370
bis(chromen-2-one);3,5,8,10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,51,53,55,57,59,61,63,65,67,69,71,73-dotriacontazapentacosacyclo[35.3.3.36,7.311,12.316,17.321,22.326,27.331,32.22,41.236,43.13,40.15,8.110,13.115,18.120,23.125,28.130,33.135,38.145,51.147,73.153,55.157,59.161,63.165,67.169,71]octacontane-44,46,48,49,50,52,54,56,58,60,62,64,66,68,70,72-hexadecone;dihydrate
CID 139190164
chromen-2-one;bis(prop-2-enoic acid)
CID 175490612
CID 90964935
CID 90964935
chromen-2-one;3-methylfuran
CID 174615885
7-piperidin-4-ylchromen-2-one
CID 158709032

Frequently Asked Questions

What is the IUPAC name of chromen-2-one;piperidine?
The IUPAC name of chromen-2-one;piperidine (CID 162207704) is chromen-2-one;piperidine.
What is the SMILES notation for chromen-2-one;piperidine?
The canonical SMILES for chromen-2-one;piperidine is C1CCNCC1.O=c1ccc2ccccc2o1.
What is the InChIKey of chromen-2-one;piperidine?
The InChIKey is ZSKPNYDTKONSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C5H11N/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-4-6-5-3-1/h1-6H;6H,1-5H2.
What are the key properties of chromen-2-one;piperidine?
chromen-2-one;piperidine has a molecular weight of 231.30 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-2-one;piperidine is sourced from PubChem (CID 162207704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).