2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid

C11H21NO3 — CID 121203132

IUPAC2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid
SMILESCCOCC1(C)CCN(CC(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-9-11(2)4-6-12(7-5-11)8-10(13)14/h3-9H2,1-2H3,(H,13,14)
InChIKeySZBFSNSWBCPUGN-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid

2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid (PubChem CID 121203132) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid
PubChem CID121203132
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid
SMILESCCOCC1(C)CCN(CC(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-9-11(2)4-6-12(7-5-11)8-10(13)14/h3-9H2,1-2H3,(H,13,14)
InChIKeySZBFSNSWBCPUGN-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid
CID 121203104
4-(ethoxymethyl)-1-(2-methoxyethyl)-4-methylpiperidine
CID 90227649
(2S)-2-chloro-1-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]propan-1-one
CID 129497207
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 177276720
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
(1-ethyl-4-methylpiperidin-4-yl)methanol
CID 23389267
1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one
CID 107507399
2-[(3R)-3-ethoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129497203
2-[(3S)-3-ethoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129497204
4-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbut-2-enoic acid
CID 77006120
1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one
CID 63158733

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid (CID 121203132) is 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid is CCOCC1(C)CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid?
The InChIKey is SZBFSNSWBCPUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-9-11(2)4-6-12(7-5-11)8-10(13)14/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid?
2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxymethyl)-4-methylpiperidin-1-yl]acetic acid is sourced from PubChem (CID 121203132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).