1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride

C14H27ClN2O3 — CID 119381744

IUPAC1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
SMILESCC(OCC1CCCCO1)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-11(19-10-13-6-2-3-8-18-13)14(17)16-7-4-5-12(15)9-16;/h11-13H,2-10,15H2,1H3;1H
InChIKeyFEJUMOAMYWMHPZ-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.33
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride (PubChem CID 119381744) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
PubChem CID119381744
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
SMILESCC(OCC1CCCCO1)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-11(19-10-13-6-2-3-8-18-13)14(17)16-7-4-5-12(15)9-16;/h11-13H,2-10,15H2,1H3;1H
InChIKeyFEJUMOAMYWMHPZ-UHFFFAOYSA-N
XLogP1.33
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371915
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
CID 120746267
(2S)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 98772177
(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 95176482
(2S)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 129427663
(2S)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 129461447
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride (CID 119381744) is 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride is CC(OCC1CCCCO1)C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride?
The InChIKey is FEJUMOAMYWMHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-11(19-10-13-6-2-3-8-18-13)14(17)16-7-4-5-12(15)9-16;/h11-13H,2-10,15H2,1H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 119381744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).