4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid

C14H28N2O4 — CID 22279332

IUPAC4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid
SMILESCCN(CCO)CCCOCC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4/c1-2-15(9-10-17)6-3-11-20-12-13-4-7-16(8-5-13)14(18)19/h13,17H,2-12H2,1H3,(H,18,19)
InChIKeyMOYIVUDNDUNLBV-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.10
Rot. Bonds9

About 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid

4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid (PubChem CID 22279332) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid
PubChem CID22279332
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid
SMILESCCN(CCO)CCCOCC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H28N2O4/c1-2-15(9-10-17)6-3-11-20-12-13-4-7-16(8-5-13)14(18)19/h13,17H,2-12H2,1H3,(H,18,19)
InChIKeyMOYIVUDNDUNLBV-UHFFFAOYSA-N
XLogP1.10
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573235
1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
CID 177123002
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]methylcarbamic acid
CID 22568053
4-[2-hydroxyethyl(methyl)carbamoyl]piperidine-1-carboxylic acid
CID 175395541
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815
2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid
CID 146599489
3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid
CID 155071696
3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 87217880
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid (CID 22279332) is 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid is CCN(CCO)CCCOCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid?
The InChIKey is MOYIVUDNDUNLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-2-15(9-10-17)6-3-11-20-12-13-4-7-16(8-5-13)14(18)19/h13,17H,2-12H2,1H3,(H,18,19).
What are the key properties of 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid?
4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22279332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).