1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one

C13H25NO — CID 58689259

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H25NO/c1-10(2)8-9-13(15)14-11(3)6-5-7-12(14)4/h10-12H,5-9H2,1-4H3/t11-,12+
InChIKeyHPOMONOJACKHBB-TXEJJXNPSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds3

About 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one (PubChem CID 58689259) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one
PubChem CID58689259
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H25NO/c1-10(2)8-9-13(15)14-11(3)6-5-7-12(14)4/h10-12H,5-9H2,1-4H3/t11-,12+
InChIKeyHPOMONOJACKHBB-TXEJJXNPSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55921603
ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate
CID 63282257
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-(methylamino)butan-1-one
CID 93314949
1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one
CID 62833376
1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 110688696
(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124835751
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119671942
2-(3-amino-2-methylpropyl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 66226077
methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964543
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8912639

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one (CID 58689259) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one is CC(C)CCC(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is HPOMONOJACKHBB-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)8-9-13(15)14-11(3)6-5-7-12(14)4/h10-12H,5-9H2,1-4H3/t11-,12+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 58689259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).