4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate

C10H19N2O3+ — CID 7219955

IUPAC4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1([NH+]2CCOCC2)CC[NH2+]CC1
InChIInChI=1S/C10H18N2O3/c13-9(14)10(1-3-11-4-2-10)12-5-7-15-8-6-12/h11H,1-8H2,(H,13,14)/p+1
InChIKeyNQBWOCCOOPTMIO-UHFFFAOYSA-O
MW215.27 g/mol
LogP-4.25
Rot. Bonds2

About 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate

4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate (PubChem CID 7219955) has the molecular formula C10H19N2O3+ and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate
PubChem CID7219955
Molecular FormulaC10H19N2O3+
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1([NH+]2CCOCC2)CC[NH2+]CC1
InChIInChI=1S/C10H18N2O3/c13-9(14)10(1-3-11-4-2-10)12-5-7-15-8-6-12/h11H,1-8H2,(H,13,14)/p+1
InChIKeyNQBWOCCOOPTMIO-UHFFFAOYSA-O
XLogP-4.25
TPSA70.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 5-4.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Piperidin-1-yl)piperidine-4-carboxylic acid
CID 22185355
Ethyl 4-amino-1-methylpiperidine-4-carboxylate
CID 4004342
4-(Piperazin-1-yl)piperidine-4-carboxylic acid
CID 61242816
4-Morpholinopiperidine-4-carboxamide
CID 3016833
Butyl 4-aminopiperidine-4-carboxylate
CID 3044669
Pentyl 4-aminopiperidine-4-carboxylate
CID 3044671
4-Morpholin-4-yl-piperidine-4-carboxylic acid
CID 3159697
Bis-[2-(2,6-dioxomorpholin-4-yl)ethyl]-aminoacetic acid
CID 129887021
Methyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54892758
Methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54892848
Ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54893090
Ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54893135

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate?
The IUPAC name of 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate (CID 7219955) is 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate.
What is the SMILES notation for 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate?
The canonical SMILES for 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate is O=C([O-])C1([NH+]2CCOCC2)CC[NH2+]CC1.
What is the InChIKey of 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate?
The InChIKey is NQBWOCCOOPTMIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O3/c13-9(14)10(1-3-11-4-2-10)12-5-7-15-8-6-12/h11H,1-8H2,(H,13,14)/p+1.
What are the key properties of 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate?
4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate has a molecular weight of 215.27 g/mol, XLogP of -4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate is sourced from PubChem (CID 7219955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).