1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine

C12H24N4O — CID 111058324

IUPAC1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESCN(C)C(=NCC(=O)N1CCCCC1)N(C)C
InChIInChI=1S/C12H24N4O/c1-14(2)12(15(3)4)13-10-11(17)16-8-6-5-7-9-16/h5-10H2,1-4H3
InChIKeyYHFHGSITALNCQQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.48
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine

1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine (PubChem CID 111058324) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
PubChem CID111058324
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESCN(C)C(=NCC(=O)N1CCCCC1)N(C)C
InChIInChI=1S/C12H24N4O/c1-14(2)12(15(3)4)13-10-11(17)16-8-6-5-7-9-16/h5-10H2,1-4H3
InChIKeyYHFHGSITALNCQQ-UHFFFAOYSA-N
XLogP0.48
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-(ethylideneamino)-1-piperidin-1-ylethanone
CID 156723725
1-(azepan-1-yl)propan-1-one
CID 3613534
1-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929192
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
1-ethyl-3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111178729
N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
CID 111040296
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
3,3-dimethyl-1-piperidin-1-ylbutan-1-one;methane;N,N,3,3-tetramethylbutanamide
CID 167604312

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine (CID 111058324) is 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine is CN(C)C(=NCC(=O)N1CCCCC1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The InChIKey is YHFHGSITALNCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-14(2)12(15(3)4)13-10-11(17)16-8-6-5-7-9-16/h5-10H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine?
1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine has a molecular weight of 240.35 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 111058324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).