[1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride

C16H22ClNO5 — CID 70420482

IUPAC[1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride
SMILESCOC(=O)OC1=CCCN(CCOc2cccc(OC)c2)C1.Cl
InChIInChI=1S/C16H21NO5.ClH/c1-19-13-5-3-6-14(11-13)21-10-9-17-8-4-7-15(12-17)22-16(18)20-2;/h3,5-7,11H,4,8-10,12H2,1-2H3;1H
InChIKeyUDBUNLUPVYMXFA-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.87
Rot. Bonds6

About [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride

[1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride (PubChem CID 70420482) has the molecular formula C16H22ClNO5 and a molecular weight of 343.81 g/mol. Its IUPAC name is [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride.

Molecular Properties

Compound Name[1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride
PubChem CID70420482
Molecular FormulaC16H22ClNO5
Molecular Weight343.81 g/mol
Exact Mass343.12
IUPAC Name[1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride
SMILESCOC(=O)OC1=CCCN(CCOc2cccc(OC)c2)C1.Cl
InChIInChI=1S/C16H21NO5.ClH/c1-19-13-5-3-6-14(11-13)21-10-9-17-8-4-7-15(12-17)22-16(18)20-2;/h3,5-7,11H,4,8-10,12H2,1-2H3;1H
InChIKeyUDBUNLUPVYMXFA-UHFFFAOYSA-N
XLogP2.87
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride?
The IUPAC name of [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride (CID 70420482) is [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride.
What is the SMILES notation for [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride?
The canonical SMILES for [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride is COC(=O)OC1=CCCN(CCOc2cccc(OC)c2)C1.Cl.
What is the InChIKey of [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride?
The InChIKey is UDBUNLUPVYMXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5.ClH/c1-19-13-5-3-6-14(11-13)21-10-9-17-8-4-7-15(12-17)22-16(18)20-2;/h3,5-7,11H,4,8-10,12H2,1-2H3;1H.
What are the key properties of [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride?
[1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride is sourced from PubChem (CID 70420482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).