[1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate

C18H25NO4 — CID 67935919

IUPAC[1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate
SMILESCOC(=O)OC1CCCN(CCC2COc3ccccc3C2)C1
InChIInChI=1S/C18H25NO4/c1-21-18(20)23-16-6-4-9-19(12-16)10-8-14-11-15-5-2-3-7-17(15)22-13-14/h2-3,5,7,14,16H,4,6,8-13H2,1H3
InChIKeyGWKVLIOEQGVOPR-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.88
Rot. Bonds4

About [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate

[1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate (PubChem CID 67935919) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate
PubChem CID67935919
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate
SMILESCOC(=O)OC1CCCN(CCC2COc3ccccc3C2)C1
InChIInChI=1S/C18H25NO4/c1-21-18(20)23-16-6-4-9-19(12-16)10-8-14-11-15-5-2-3-7-17(15)22-13-14/h2-3,5,7,14,16H,4,6,8-13H2,1H3
InChIKeyGWKVLIOEQGVOPR-UHFFFAOYSA-N
XLogP2.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate?
The IUPAC name of [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate (CID 67935919) is [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate.
What is the SMILES notation for [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate?
The canonical SMILES for [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate is COC(=O)OC1CCCN(CCC2COc3ccccc3C2)C1.
What is the InChIKey of [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate?
The InChIKey is GWKVLIOEQGVOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-21-18(20)23-16-6-4-9-19(12-16)10-8-14-11-15-5-2-3-7-17(15)22-13-14/h2-3,5,7,14,16H,4,6,8-13H2,1H3.
What are the key properties of [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate?
[1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate has a molecular weight of 319.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate is sourced from PubChem (CID 67935919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).