(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride

C13H25ClN2O2 — CID 119375948

IUPAC(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
SMILESCOCCC1(C(=O)N2CCC(N)CC2)CCC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-17-10-7-13(5-2-6-13)12(16)15-8-3-11(14)4-9-15;/h11H,2-10,14H2,1H3;1H
InChIKeyBVMLHJQHJZCFNI-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.56
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride (PubChem CID 119375948) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
PubChem CID119375948
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
SMILESCOCCC1(C(=O)N2CCC(N)CC2)CCC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-17-10-7-13(5-2-6-13)12(16)15-8-3-11(14)4-9-15;/h11H,2-10,14H2,1H3;1H
InChIKeyBVMLHJQHJZCFNI-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546537
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563582
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 97246480
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119638368
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119934487
[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119412481
[1-(2-methoxyethyl)cyclobutyl]-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]methanone
CID 97244378
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 119638958
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
[1-(aminomethyl)cyclopentyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63973299

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride (CID 119375948) is (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride is COCCC1(C(=O)N2CCC(N)CC2)CCC1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride?
The InChIKey is BVMLHJQHJZCFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-17-10-7-13(5-2-6-13)12(16)15-8-3-11(14)4-9-15;/h11H,2-10,14H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride is sourced from PubChem (CID 119375948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).