2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride

C12H25ClN2O2 — CID 119729761

IUPAC2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCCC(OC)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-4-9(2)11(13)12(15)14-7-5-6-10(8-14)16-3;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeyIHEKTOLEFGTSIR-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.42
Rot. Bonds4

About 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride

2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride (PubChem CID 119729761) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
PubChem CID119729761
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCCC(OC)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-4-9(2)11(13)12(15)14-7-5-6-10(8-14)16-3;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeyIHEKTOLEFGTSIR-UHFFFAOYSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
2-bromo-1-(3-methoxypiperidin-1-yl)butan-1-one
CID 102956877
2-amino-3-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one;hydrochloride
CID 119780029
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide
CID 119746034
(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
CID 129410228
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
CID 102957635
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride (CID 119729761) is 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride is CCC(C)C(N)C(=O)N1CCCC(OC)C1.Cl.
What is the InChIKey of 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride?
The InChIKey is IHEKTOLEFGTSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-4-9(2)11(13)12(15)14-7-5-6-10(8-14)16-3;/h9-11H,4-8,13H2,1-3H3;1H.
What are the key properties of 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride?
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119729761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).