2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid

C13H24N2O3 — CID 66435884

IUPAC2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid
SMILESCCN1CCC(N2CCOC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H24N2O3/c1-2-14-5-3-11(4-6-14)15-7-8-18-12(10-15)9-13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyNXXWLNQCONRTLK-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.65
Rot. Bonds4

About 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid

2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid (PubChem CID 66435884) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid
PubChem CID66435884
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid
SMILESCCN1CCC(N2CCOC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H24N2O3/c1-2-14-5-3-11(4-6-14)15-7-8-18-12(10-15)9-13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyNXXWLNQCONRTLK-UHFFFAOYSA-N
XLogP0.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid (CID 66435884) is 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid is CCN1CCC(N2CCOC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid?
The InChIKey is NXXWLNQCONRTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-14-5-3-11(4-6-14)15-7-8-18-12(10-15)9-13(16)17/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid?
2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylpiperidin-4-yl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).