ethyl 3-aminopiperidine-1-carboxylate

C8H16N2O2 — CID 10103615

IUPACethyl 3-aminopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(N)C1
InChIInChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-4-7(9)6-10/h7H,2-6,9H2,1H3
InChIKeyIJWHDAIOTFLTQZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.57
Rot. Bonds1

About ethyl 3-aminopiperidine-1-carboxylate

ethyl 3-aminopiperidine-1-carboxylate (PubChem CID 10103615) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl 3-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-aminopiperidine-1-carboxylate
PubChem CID10103615
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl 3-aminopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(N)C1
InChIInChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-4-7(9)6-10/h7H,2-6,9H2,1H3
InChIKeyIJWHDAIOTFLTQZ-UHFFFAOYSA-N
XLogP0.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-(chloromethyl)piperidine-1-carboxylate
CID 124705532
ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
CID 75526665
2-methylpropyl 3-aminopiperidine-1-carboxylate
CID 61297583
ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 135397207
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
ethyl (3R)-3-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 94830781
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
ethyl azetidine-1-carboxylate
CID 14088501
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate
CID 20814354

Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminopiperidine-1-carboxylate?
The IUPAC name of ethyl 3-aminopiperidine-1-carboxylate (CID 10103615) is ethyl 3-aminopiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-aminopiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-aminopiperidine-1-carboxylate is CCOC(=O)N1CCCC(N)C1.
What is the InChIKey of ethyl 3-aminopiperidine-1-carboxylate?
The InChIKey is IJWHDAIOTFLTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-4-7(9)6-10/h7H,2-6,9H2,1H3.
What are the key properties of ethyl 3-aminopiperidine-1-carboxylate?
ethyl 3-aminopiperidine-1-carboxylate has a molecular weight of 172.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-aminopiperidine-1-carboxylate is sourced from PubChem (CID 10103615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).