ethyl 4-aminopiperidine-1-carboxylate;hydrochloride

C8H17ClN2O2 — CID 3016841

IUPACethyl 4-aminopiperidine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-2-12-8(11)10-5-3-7(9)4-6-10;/h7H,2-6,9H2,1H3;1H
InChIKeySVFZMEVHUVJQMO-UHFFFAOYSA-N
MW208.69 g/mol
LogP0.99
Rot. Bonds1

About ethyl 4-aminopiperidine-1-carboxylate;hydrochloride

ethyl 4-aminopiperidine-1-carboxylate;hydrochloride (PubChem CID 3016841) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is ethyl 4-aminopiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-aminopiperidine-1-carboxylate;hydrochloride
PubChem CID3016841
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Nameethyl 4-aminopiperidine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-2-12-8(11)10-5-3-7(9)4-6-10;/h7H,2-6,9H2,1H3;1H
InChIKeySVFZMEVHUVJQMO-UHFFFAOYSA-N
XLogP0.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminopiperidine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-aminopiperidine-1-carboxylate;hydrochloride (CID 3016841) is ethyl 4-aminopiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-aminopiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-aminopiperidine-1-carboxylate;hydrochloride is CCOC(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of ethyl 4-aminopiperidine-1-carboxylate;hydrochloride?
The InChIKey is SVFZMEVHUVJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-2-12-8(11)10-5-3-7(9)4-6-10;/h7H,2-6,9H2,1H3;1H.
What are the key properties of ethyl 4-aminopiperidine-1-carboxylate;hydrochloride?
ethyl 4-aminopiperidine-1-carboxylate;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminopiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 3016841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).