1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone

C13H25N3O — CID 29008935

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-4-3-5-12(2)16(11)13(17)10-15-8-6-14-7-9-15/h11-12,14H,3-10H2,1-2H3/t11-,12+
InChIKeyDRIXFYLGRCURFF-TXEJJXNPSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds2

About 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone (PubChem CID 29008935) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
PubChem CID29008935
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-4-3-5-12(2)16(11)13(17)10-15-8-6-14-7-9-15/h11-12,14H,3-10H2,1-2H3/t11-,12+
InChIKeyDRIXFYLGRCURFF-TXEJJXNPSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
CID 94513032
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 134038724
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119927631
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119933510
N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 94632422
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 120774690
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 114961096
methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730611
2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792161
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787968

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone (CID 29008935) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCNCC1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone?
The InChIKey is DRIXFYLGRCURFF-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-4-3-5-12(2)16(11)13(17)10-15-8-6-14-7-9-15/h11-12,14H,3-10H2,1-2H3/t11-,12+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone has a molecular weight of 239.36 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone is sourced from PubChem (CID 29008935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).