1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride

C11H23ClN2O2 — CID 119645863

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
SMILESCCNCC1CCN(C(=O)COC)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-3-12-8-10-4-6-13(7-5-10)11(14)9-15-2;/h10,12H,3-9H2,1-2H3;1H
InChIKeyWJMMPSUPNAQFGA-UHFFFAOYSA-N
MW250.77 g/mol
LogP0.90
Rot. Bonds5

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride (PubChem CID 119645863) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
PubChem CID119645863
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
SMILESCCNCC1CCN(C(=O)COC)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-3-12-8-10-4-6-13(7-5-10)11(14)9-15-2;/h10,12H,3-9H2,1-2H3;1H
InChIKeyWJMMPSUPNAQFGA-UHFFFAOYSA-N
XLogP0.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
3-(ethylamino)-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 62833950
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119647507
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
[1-(2-methoxyacetyl)piperidin-4-yl]methyl carbamate
CID 175556728
1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 129178233
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119645132

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride (CID 119645863) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride is CCNCC1CCN(C(=O)COC)CC1.Cl.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride?
The InChIKey is WJMMPSUPNAQFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-3-12-8-10-4-6-13(7-5-10)11(14)9-15-2;/h10,12H,3-9H2,1-2H3;1H.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride is sourced from PubChem (CID 119645863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).