4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid

C12H24N2O3 — CID 82768789

IUPAC4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid
SMILESCCN1CCC(N(C)CC(O)CC(=O)O)CC1
InChIInChI=1S/C12H24N2O3/c1-3-14-6-4-10(5-7-14)13(2)9-11(15)8-12(16)17/h10-11,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyGWQZWFMWWZYECH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.24
Rot. Bonds6

About 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid

4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid (PubChem CID 82768789) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid
PubChem CID82768789
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid
SMILESCCN1CCC(N(C)CC(O)CC(=O)O)CC1
InChIInChI=1S/C12H24N2O3/c1-3-14-6-4-10(5-7-14)13(2)9-11(15)8-12(16)17/h10-11,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyGWQZWFMWWZYECH-UHFFFAOYSA-N
XLogP0.24
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-hydroxy-1,1-dimethylpiperidin-1-ium-4-carboxylic acid
CID 134966163
2-[(2S,6S)-6-(azidomethyl)-4-propan-2-ylmorpholin-2-yl]acetic acid
CID 11736642
3-Hydroxy-2-piperidin-1-ylbutanoic acid
CID 414540
(4-Isopropylmorpholin-2-yl)acetic acid
CID 45791141
methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate
CID 58280229
2-(5-Methyl-4-propan-2-ylmorpholin-2-yl)acetic acid
CID 58507876
Methyl 4-(3-hydroxypiperidin-1-yl)butanoate
CID 60581818
4-(3-Hydroxypiperidin-1-yl)butanoic acid
CID 61434774
2-(4,5-Dimethylmorpholin-2-yl)acetic acid
CID 70667579
1-Butyl-3-hydroxypiperidine-4-carboxylic acid
CID 71041804
1-Tert-butyl-3-hydroxypiperidine-4-carboxylic acid
CID 118284017
4-[Bis(carboxymethyl)amino]-2-(diethylamino)-3-hydroxybutanoic acid
CID 118326415

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid (CID 82768789) is 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid is CCN1CCC(N(C)CC(O)CC(=O)O)CC1.
What is the InChIKey of 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid?
The InChIKey is GWQZWFMWWZYECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-14-6-4-10(5-7-14)13(2)9-11(15)8-12(16)17/h10-11,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid?
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 82768789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).