2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone

C13H26N2O — CID 59001118

IUPAC2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
SMILESCC(C)CC1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)9-12-5-7-15(8-6-12)13(16)10-14(3)4/h11-12H,5-10H2,1-4H3
InChIKeyZARJYTNVBUGTEO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.83
Rot. Bonds4

About 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone (PubChem CID 59001118) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
PubChem CID59001118
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
SMILESCC(C)CC1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)9-12-5-7-15(8-6-12)13(16)10-14(3)4/h11-12H,5-10H2,1-4H3
InChIKeyZARJYTNVBUGTEO-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480595
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720
2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one
CID 169182421
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
2-[4-(2-methylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 145317208
2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62332786
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781887
2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone
CID 130426463
1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 62637512

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone (CID 59001118) is 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone is CC(C)CC1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone?
The InChIKey is ZARJYTNVBUGTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)9-12-5-7-15(8-6-12)13(16)10-14(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone has a molecular weight of 226.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 59001118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).