3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride

C12H25ClN2O2 — CID 119786526

IUPAC3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCOCC1CCCN(C(=O)CC(C)N)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-3-16-9-11-5-4-6-14(8-11)12(15)7-10(2)13;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyDASZQDRICPBGLG-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.42
Rot. Bonds5

About 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride

3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119786526) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119786526
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCOCC1CCCN(C(=O)CC(C)N)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-3-16-9-11-5-4-6-14(8-11)12(15)7-10(2)13;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyDASZQDRICPBGLG-UHFFFAOYSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119786521
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one
CID 110418641
N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110610311
3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110416521
4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 103810666
N-[3-[3-(ethoxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 110610301
2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793368
1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119814348
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 119786515
(2S)-2-amino-1-[3-(ethoxymethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119341199

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride (CID 119786526) is 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride is CCOCC1CCCN(C(=O)CC(C)N)C1.Cl.
What is the InChIKey of 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is DASZQDRICPBGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-3-16-9-11-5-4-6-14(8-11)12(15)7-10(2)13;/h10-11H,3-9,13H2,1-2H3;1H.
What are the key properties of 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride?
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119786526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).