3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride

C17H33ClN2O — CID 119932022

IUPAC3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride
SMILESCCOC1CC(N(C)CC2CCNCC2)C12CCCC2.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-3-20-16-12-15(17(16)8-4-5-9-17)19(2)13-14-6-10-18-11-7-14;/h14-16,18H,3-13H2,1-2H3;1H
InChIKeyDFORERSQXZHDPC-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.08
Rot. Bonds5

About 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride

3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride (PubChem CID 119932022) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride
PubChem CID119932022
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride
SMILESCCOC1CC(N(C)CC2CCNCC2)C12CCCC2.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-3-20-16-12-15(17(16)8-4-5-9-17)19(2)13-14-6-10-18-11-7-14;/h14-16,18H,3-13H2,1-2H3;1H
InChIKeyDFORERSQXZHDPC-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-(piperidin-4-ylmethyl)cyclopentan-1-amine
CID 79863443
4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid
CID 119138143
N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpiperidine-3-carboxamide
CID 119335023
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
2-(cyclopropylmethylamino)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylacetamide
CID 119800300
5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901051
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 102558005
1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone
CID 102558006
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
CID 99774644
(2S)-2-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylpropanamide;hydrochloride
CID 119333090
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124684050

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride?
The IUPAC name of 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride (CID 119932022) is 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride?
The canonical SMILES for 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride is CCOC1CC(N(C)CC2CCNCC2)C12CCCC2.Cl.
What is the InChIKey of 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride?
The InChIKey is DFORERSQXZHDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-3-20-16-12-15(17(16)8-4-5-9-17)19(2)13-14-6-10-18-11-7-14;/h14-16,18H,3-13H2,1-2H3;1H.
What are the key properties of 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride?
3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride is sourced from PubChem (CID 119932022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).