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

C17H23NO4 — CID 70421830

IUPAC[1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
SMILESCOC(=O)OC1=CCCN(CCOc2cc(C)ccc2C)C1
InChIInChI=1S/C17H23NO4/c1-13-6-7-14(2)16(11-13)21-10-9-18-8-4-5-15(12-18)22-17(19)20-3/h5-7,11H,4,8-10,12H2,1-3H3
InChIKeyJNUOJGWTVBXRFJ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.05
Rot. Bonds5

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

[1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate (PubChem CID 70421830) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate.

Molecular Properties

Compound Name[1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
PubChem CID70421830
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
SMILESCOC(=O)OC1=CCCN(CCOc2cc(C)ccc2C)C1
InChIInChI=1S/C17H23NO4/c1-13-6-7-14(2)16(11-13)21-10-9-18-8-4-5-15(12-18)22-17(19)20-3/h5-7,11H,4,8-10,12H2,1-3H3
InChIKeyJNUOJGWTVBXRFJ-UHFFFAOYSA-N
XLogP3.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(3-methoxyphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate;hydrochloride
CID 70420482
2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521786
methyl 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxylate
CID 112730693
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 154319373
methyl 2-amino-4-(2,5-dimethylphenoxy)butanoate
CID 63040839
4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one
CID 8548656
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
The IUPAC name of [1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate (CID 70421830) is [1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate.
What is the SMILES notation for [1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
The canonical SMILES for [1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate is COC(=O)OC1=CCCN(CCOc2cc(C)ccc2C)C1.
What is the InChIKey of [1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
The InChIKey is JNUOJGWTVBXRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13-6-7-14(2)16(11-13)21-10-9-18-8-4-5-15(12-18)22-17(19)20-3/h5-7,11H,4,8-10,12H2,1-3H3.
What are the key properties of [1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
[1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate has a molecular weight of 305.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate is sourced from PubChem (CID 70421830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).