ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate

C12H25NO3 — CID 176667443

IUPACethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
SMILESCC.CCOC(=O)CN1CCC(OC)CC1
InChIInChI=1S/C10H19NO3.C2H6/c1-3-14-10(12)8-11-6-4-9(13-2)5-7-11;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyQCPIPPFJCGAUBA-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.69
Rot. Bonds4

About ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate

ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate (PubChem CID 176667443) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
PubChem CID176667443
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
SMILESCC.CCOC(=O)CN1CCC(OC)CC1
InChIInChI=1S/C10H19NO3.C2H6/c1-3-14-10(12)8-11-6-4-9(13-2)5-7-11;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyQCPIPPFJCGAUBA-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-piperidyl acetate
CID 151427
1-(Methyl-11C)-4-piperidinyl acetate
CID 450361
Glycine, N,N-dipentyl-, ethyl ester
CID 96116
1-Piperidineacetic acid, ethyl ester
CID 643466
Ethyl 2,6-dimethyl-4-morpholinepropionate
CID 98759
MP-4P C-11
CID 6540307
(3R,4S)-1-(2-Ethoxyethyl)-3-methylpiperidin-4-YL acetate hydrochloride
CID 6602578
1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide
CID 3048283
1-Piperidineacetic acid, 2-(diethylamino)ethyl ester, dihydrochloride
CID 3053855
[1-(2-(18F)fluoroethyl)piperidin-4-yl] acetate
CID 450034
N-methylpiperidin-4-yl propionate
CID 133349
2-Piperidin-1-ylethyl acetate
CID 303082

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate?
The IUPAC name of ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate (CID 176667443) is ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate.
What is the SMILES notation for ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate?
The canonical SMILES for ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate is CC.CCOC(=O)CN1CCC(OC)CC1.
What is the InChIKey of ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate?
The InChIKey is QCPIPPFJCGAUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C2H6/c1-3-14-10(12)8-11-6-4-9(13-2)5-7-11;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate?
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate has a molecular weight of 231.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate is sourced from PubChem (CID 176667443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).