ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate

C17H32N2O2 — CID 115999232

IUPACethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(N2CCNCC2)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H32N2O2/c1-6-21-14(20)17(19-9-7-18-8-10-19)12-15(2,3)11-16(4,5)13-17/h18H,6-13H2,1-5H3
InChIKeyASYNYJXOFHZOHP-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.43
Rot. Bonds3

About ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate

ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate (PubChem CID 115999232) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate
PubChem CID115999232
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Nameethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(N2CCNCC2)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H32N2O2/c1-6-21-14(20)17(19-9-7-18-8-10-19)12-15(2,3)11-16(4,5)13-17/h18H,6-13H2,1-5H3
InChIKeyASYNYJXOFHZOHP-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-methyl-4-piperazin-1-ylpiperidine-4-carboxylate
CID 54895081
ethyl 1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 54890252
methyl 1-(1,4-diazepan-1-yl)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 115999224
ethyl 3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-3-carboxylate
CID 62976410
1-(1,4-diazepan-1-yl)-3,3,5,5-tetramethylcyclohexane-1-carboxamide
CID 115999198
ethyl 1-piperazin-1-yl-4-propylcycloheptane-1-carboxylate
CID 65089166
ethyl 3-piperazin-1-yl-1-azabicyclo[2.2.2]octane-3-carboxylate
CID 54894795
ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066897
methyl 4,4-dimethyl-1-piperazin-1-ylcycloheptane-1-carboxylate
CID 65085861
ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate
CID 143410783
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate (CID 115999232) is ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate is CCOC(=O)C1(N2CCNCC2)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate?
The InChIKey is ASYNYJXOFHZOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-21-14(20)17(19-9-7-18-8-10-19)12-15(2,3)11-16(4,5)13-17/h18H,6-13H2,1-5H3.
What are the key properties of ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate?
ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate has a molecular weight of 296.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3,5,5-tetramethyl-1-piperazin-1-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 115999232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).