1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride

C12H25ClN2O — CID 119762682

IUPAC1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-12(2,3)10-5-7-14(8-6-10)11(15)9-13-4;/h10,13H,5-9H2,1-4H3;1H
InChIKeyWQEYXONYEIJKIR-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.91
Rot. Bonds2

About 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride

1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride (PubChem CID 119762682) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
PubChem CID119762682
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-12(2,3)10-5-7-14(8-6-10)11(15)9-13-4;/h10,13H,5-9H2,1-4H3;1H
InChIKeyWQEYXONYEIJKIR-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
CID 62084699
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119852035
1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 146064318
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
CID 83634925
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride (CID 119762682) is 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCC(C(C)(C)C)CC1.Cl.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride?
The InChIKey is WQEYXONYEIJKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-12(2,3)10-5-7-14(8-6-10)11(15)9-13-4;/h10,13H,5-9H2,1-4H3;1H.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride?
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 119762682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).