2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone

C11H22N2O — CID 59542495

IUPAC2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCNCC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)10-4-6-13(7-5-10)11(14)8-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyWSXNMRRBXXWQPU-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.10
Rot. Bonds3

About 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone

2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 59542495) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID59542495
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCNCC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)10-4-6-13(7-5-10)11(14)8-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyWSXNMRRBXXWQPU-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 56881213
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119852035
1-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 63977470

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 59542495) is 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone is CNCC(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is WSXNMRRBXXWQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)10-4-6-13(7-5-10)11(14)8-12-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 198.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 59542495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).