1-ethylpiperidine-4-carboxylate

C8H14NO2- — CID 22406282

IUPAC1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(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)/p-1
InChIKeyIDHMTYNXPJWISA-UHFFFAOYSA-M
MW156.21 g/mol
LogP-0.53
Rot. Bonds2

About 1-ethylpiperidine-4-carboxylate

1-ethylpiperidine-4-carboxylate (PubChem CID 22406282) has the molecular formula C8H14NO2- and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1-ethylpiperidine-4-carboxylate
PubChem CID22406282
Molecular FormulaC8H14NO2-
Molecular Weight156.21 g/mol
Exact Mass156.10
IUPAC Name1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(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)/p-1
InChIKeyIDHMTYNXPJWISA-UHFFFAOYSA-M
XLogP-0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate
CID 155146392
1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride
CID 117266512
2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid
CID 145134556
(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate
CID 57101274
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
azaniumylmethylazanium;cyclohexane-1,4-dicarboxylate
CID 163546448
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
(1-ethylpiperidin-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 167010736

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine-4-carboxylate?
The IUPAC name of 1-ethylpiperidine-4-carboxylate (CID 22406282) is 1-ethylpiperidine-4-carboxylate.
What is the SMILES notation for 1-ethylpiperidine-4-carboxylate?
The canonical SMILES for 1-ethylpiperidine-4-carboxylate is CCN1CCC(C(=O)[O-])CC1.
What is the InChIKey of 1-ethylpiperidine-4-carboxylate?
The InChIKey is IDHMTYNXPJWISA-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 1-ethylpiperidine-4-carboxylate?
1-ethylpiperidine-4-carboxylate has a molecular weight of 156.21 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 22406282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).