2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride

C14H27ClN2O3 — CID 120792917

IUPAC2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
SMILESCOCC1CCCN(C(=O)C(N)C2CCOCC2)C1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-18-10-11-3-2-6-16(9-11)14(17)13(15)12-4-7-19-8-5-12;/h11-13H,2-10,15H2,1H3;1H
InChIKeyVYTSBNCGNGBSPG-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride (PubChem CID 120792917) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
PubChem CID120792917
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
SMILESCOCC1CCCN(C(=O)C(N)C2CCOCC2)C1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-18-10-11-3-2-6-16(9-11)14(17)13(15)12-4-7-19-8-5-12;/h11-13H,2-10,15H2,1H3;1H
InChIKeyVYTSBNCGNGBSPG-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793368
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120795292
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120801009
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088
2-amino-1-[(3S)-3-methoxypyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793854
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride
CID 120790917
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 120787494
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120801010
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120790923
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride (CID 120792917) is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride is COCC1CCCN(C(=O)C(N)C2CCOCC2)C1.Cl.
What is the InChIKey of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
The InChIKey is VYTSBNCGNGBSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-18-10-11-3-2-6-16(9-11)14(17)13(15)12-4-7-19-8-5-12;/h11-13H,2-10,15H2,1H3;1H.
What are the key properties of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 120792917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).