1-ethylpiperidin-1-ium-4-carboxylate

C8H15NO2 — CID 27440252

IUPAC1-ethylpiperidin-1-ium-4-carboxylate
SMILESCC[NH+]1CCC(C(=O)[O-])CC1
InChIInChI=1S/C8H15NO2/c1-2-9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyIDHMTYNXPJWISA-UHFFFAOYSA-N
MW157.21 g/mol
LogP-1.95
Rot. Bonds2

About 1-ethylpiperidin-1-ium-4-carboxylate

1-ethylpiperidin-1-ium-4-carboxylate (PubChem CID 27440252) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-ethylpiperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name1-ethylpiperidin-1-ium-4-carboxylate
PubChem CID27440252
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-ethylpiperidin-1-ium-4-carboxylate
SMILESCC[NH+]1CCC(C(=O)[O-])CC1
InChIInChI=1S/C8H15NO2/c1-2-9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyIDHMTYNXPJWISA-UHFFFAOYSA-N
XLogP-1.95
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Piperidinecarboxylic acid
CID 3773
Ethyl 4-piperidinecarboxylate
CID 70770
Methyl isonipecotate
CID 424914
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Isonipecotic acid hydrochloride
CID 22298
Tert-butyl Piperidine-4-carboxylate
CID 1512676
Piperidin-1-ium-4-carboxylate
CID 6931652
rac-methyl (3R,4R)-3-methylpiperidine-4-carboxylate hydrochloride
CID 14869355
Piperidine-4-carboxylic acid tert-butyl ester hydrochloride
CID 42614227
4-Ethylpiperidine-4-carboxylic acid
CID 50944203
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidin-1-ium-4-carboxylate?
The IUPAC name of 1-ethylpiperidin-1-ium-4-carboxylate (CID 27440252) is 1-ethylpiperidin-1-ium-4-carboxylate.
What is the SMILES notation for 1-ethylpiperidin-1-ium-4-carboxylate?
The canonical SMILES for 1-ethylpiperidin-1-ium-4-carboxylate is CC[NH+]1CCC(C(=O)[O-])CC1.
What is the InChIKey of 1-ethylpiperidin-1-ium-4-carboxylate?
The InChIKey is IDHMTYNXPJWISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-ethylpiperidin-1-ium-4-carboxylate?
1-ethylpiperidin-1-ium-4-carboxylate has a molecular weight of 157.21 g/mol, XLogP of -1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidin-1-ium-4-carboxylate is sourced from PubChem (CID 27440252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).