2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium

C14H31N3O+2 — CID 7437274

IUPAC2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium
SMILESC[C@@H]([NH2+]CC[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C14H29N3O/c1-11-7-6-8-12(2)17(11)14(18)13(3)15-9-10-16(4)5/h11-13,15H,6-10H2,1-5H3/p+2/t11-,12-,13+/m0/s1
InChIKeyWZOUYUMAVWIBOO-RWMBFGLXSA-P
MW257.42 g/mol
LogP-1.13
Rot. Bonds5

About 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium

2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium (PubChem CID 7437274) has the molecular formula C14H31N3O+2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium
PubChem CID7437274
Molecular FormulaC14H31N3O+2
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium
SMILESC[C@@H]([NH2+]CC[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C14H29N3O/c1-11-7-6-8-12(2)17(11)14(18)13(3)15-9-10-16(4)5/h11-13,15H,6-10H2,1-5H3/p+2/t11-,12-,13+/m0/s1
InChIKeyWZOUYUMAVWIBOO-RWMBFGLXSA-P
XLogP-1.13
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium with MolForge

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Related Compounds

2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3699318
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
CID 103715028
2-bromo-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butan-1-one
CID 104967100
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 8767382
(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
CID 103796395
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylbutan-1-one
CID 100963841
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one
CID 58689259
(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928383
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8912639
(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 131089577
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium?
The IUPAC name of 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium (CID 7437274) is 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium?
The canonical SMILES for 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium is C[C@@H]([NH2+]CC[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@@H]1C.
What is the InChIKey of 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium?
The InChIKey is WZOUYUMAVWIBOO-RWMBFGLXSA-P. The full InChI is InChI=1S/C14H29N3O/c1-11-7-6-8-12(2)17(11)14(18)13(3)15-9-10-16(4)5/h11-13,15H,6-10H2,1-5H3/p+2/t11-,12-,13+/m0/s1.
What are the key properties of 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium?
2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium has a molecular weight of 257.42 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium is sourced from PubChem (CID 7437274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).