3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride

C15H29ClN2O3 — CID 119815521

IUPAC3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCC(OCC2CCCCO2)CC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-12(16)10-15(18)17-7-5-13(6-8-17)20-11-14-4-2-3-9-19-14;/h12-14H,2-11,16H2,1H3;1H
InChIKeyVXKWGPCNTPGQTG-UHFFFAOYSA-N
MW320.86 g/mol
LogP1.72
Rot. Bonds5

About 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride

3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119815521) has the molecular formula C15H29ClN2O3 and a molecular weight of 320.86 g/mol. Its IUPAC name is 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119815521
Molecular FormulaC15H29ClN2O3
Molecular Weight320.86 g/mol
Exact Mass320.19
IUPAC Name3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCC(OCC2CCCCO2)CC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-12(16)10-15(18)17-7-5-13(6-8-17)20-11-14-4-2-3-9-19-14;/h12-14H,2-11,16H2,1H3;1H
InChIKeyVXKWGPCNTPGQTG-UHFFFAOYSA-N
XLogP1.72
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119815515
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119815503
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
CID 126777502
methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate
CID 124609824
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 119341879
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119815525
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119815509
[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119341852
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447389
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610
N'-methyl-N-(2-methyl-2-methylsulfonylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447193

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride (CID 119815521) is 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride is CC(N)CC(=O)N1CCC(OCC2CCCCO2)CC1.Cl.
What is the InChIKey of 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is VXKWGPCNTPGQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.ClH/c1-12(16)10-15(18)17-7-5-13(6-8-17)20-11-14-4-2-3-9-19-14;/h12-14H,2-11,16H2,1H3;1H.
What are the key properties of 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride?
3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119815521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).