3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine

C16H23NO — CID 117366081

IUPAC3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine
SMILESCC1CCc2cccc(CC3CCCNC3)c2O1
InChIInChI=1S/C16H23NO/c1-12-7-8-14-5-2-6-15(16(14)18-12)10-13-4-3-9-17-11-13/h2,5-6,12-13,17H,3-4,7-11H2,1H3
InChIKeyLMWFEQVOEUCSFD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds2

About 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine

3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine (PubChem CID 117366081) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine
PubChem CID117366081
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine
SMILESCC1CCc2cccc(CC3CCCNC3)c2O1
InChIInChI=1S/C16H23NO/c1-12-7-8-14-5-2-6-15(16(14)18-12)10-13-4-3-9-17-11-13/h2,5-6,12-13,17H,3-4,7-11H2,1H3
InChIKeyLMWFEQVOEUCSFD-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5005916
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CID 117118019
5-(piperidin-3-ylmethyl)quinoline
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine?
The IUPAC name of 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine (CID 117366081) is 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine.
What is the SMILES notation for 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine?
The canonical SMILES for 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine is CC1CCc2cccc(CC3CCCNC3)c2O1.
What is the InChIKey of 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine?
The InChIKey is LMWFEQVOEUCSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-7-8-14-5-2-6-15(16(14)18-12)10-13-4-3-9-17-11-13/h2,5-6,12-13,17H,3-4,7-11H2,1H3.
What are the key properties of 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine?
3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine has a molecular weight of 245.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine is sourced from PubChem (CID 117366081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).