ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate

C13H25NO3 — CID 64660664

IUPACethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCC(COC)CC1
InChIInChI=1S/C13H25NO3/c1-4-12(13(15)17-5-2)14-8-6-11(7-9-14)10-16-3/h11-12H,4-10H2,1-3H3
InChIKeyWFJXSVMGBFKTGI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.69
Rot. Bonds6

About ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate

ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate (PubChem CID 64660664) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate
PubChem CID64660664
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCC(COC)CC1
InChIInChI=1S/C13H25NO3/c1-4-12(13(15)17-5-2)14-8-6-11(7-9-14)10-16-3/h11-12H,4-10H2,1-3H3
InChIKeyWFJXSVMGBFKTGI-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980111
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
ethyl 2-(4-carbamothioylpiperidin-1-yl)butanoate
CID 64662354
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethyl 2-(4-tert-butylazepan-1-yl)butanoate
CID 64661071
ethyl (2R)-2-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]butanoate
CID 124776571
ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate
CID 79736574
ethyl 2-(3,4-dimethoxypyrrolidin-1-yl)butanoate
CID 103535264
(2R)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796402
ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 64598997

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate (CID 64660664) is ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate is CCOC(=O)C(CC)N1CCC(COC)CC1.
What is the InChIKey of ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate?
The InChIKey is WFJXSVMGBFKTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-12(13(15)17-5-2)14-8-6-11(7-9-14)10-16-3/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate?
ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate has a molecular weight of 243.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate is sourced from PubChem (CID 64660664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).