2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride

C11H23ClN2O3 — CID 174550992

IUPAC2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride
SMILESCCCOC1CN(CCOC=O)CCC1N.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-2-6-16-11-8-13(4-3-10(11)12)5-7-15-9-14;/h9-11H,2-8,12H2,1H3;1H
InChIKeyWBKMMPRBXZLGPZ-UHFFFAOYSA-N
MW266.77 g/mol
LogP0.41
Rot. Bonds7

About 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride

2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride (PubChem CID 174550992) has the molecular formula C11H23ClN2O3 and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride
PubChem CID174550992
Molecular FormulaC11H23ClN2O3
Molecular Weight266.77 g/mol
Exact Mass266.14
IUPAC Name2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride
SMILESCCCOC1CN(CCOC=O)CCC1N.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-2-6-16-11-8-13(4-3-10(11)12)5-7-15-9-14;/h9-11H,2-8,12H2,1H3;1H
InChIKeyWBKMMPRBXZLGPZ-UHFFFAOYSA-N
XLogP0.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride?
The IUPAC name of 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride (CID 174550992) is 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride.
What is the SMILES notation for 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride?
The canonical SMILES for 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride is CCCOC1CN(CCOC=O)CCC1N.Cl.
What is the InChIKey of 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride?
The InChIKey is WBKMMPRBXZLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.ClH/c1-2-6-16-11-8-13(4-3-10(11)12)5-7-15-9-14;/h9-11H,2-8,12H2,1H3;1H.
What are the key properties of 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride?
2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride is sourced from PubChem (CID 174550992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).