2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine

C16H32N2 — CID 64945745

IUPAC2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine
SMILESCCC1CNC(C)(C)CN1CC1CCCCC1C
InChIInChI=1S/C16H32N2/c1-5-15-10-17-16(3,4)12-18(15)11-14-9-7-6-8-13(14)2/h13-15,17H,5-12H2,1-4H3
InChIKeyXANQZFWJFNBRPM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine

2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine (PubChem CID 64945745) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine
PubChem CID64945745
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine
SMILESCCC1CNC(C)(C)CN1CC1CCCCC1C
InChIInChI=1S/C16H32N2/c1-5-15-10-17-16(3,4)12-18(15)11-14-9-7-6-8-13(14)2/h13-15,17H,5-12H2,1-4H3
InChIKeyXANQZFWJFNBRPM-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901626
2-ethyl-1-[(2-methylcyclopentyl)methyl]-5-propan-2-ylpiperazine
CID 107420868
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine
CID 107901496
1-(2,3-dimethylcyclopentyl)-2-ethyl-5,5-dimethylpiperazine
CID 64940916
3,3-dimethyl-1-[(2-methylcyclopentyl)methyl]piperazine
CID 107420912
1-(cyclobutylmethyl)-2,5,5-trimethylpiperazine
CID 64934999
1-(2,4-dimethylcyclohexyl)-2-ethyl-5,5-dimethylpiperazine
CID 64941054
2-ethyl-5,5-dimethyl-1-(4-methylcyclohexyl)piperazine
CID 64932642
4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64939473
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
2-ethyl-5,5-dimethyl-1-(1-methylcyclopentyl)piperazine
CID 64940144
2-ethyl-1-(2-ethylhexyl)-5,5-dimethylpiperazine
CID 64838710

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine?
The IUPAC name of 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine (CID 64945745) is 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine is CCC1CNC(C)(C)CN1CC1CCCCC1C.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine?
The InChIKey is XANQZFWJFNBRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-15-10-17-16(3,4)12-18(15)11-14-9-7-6-8-13(14)2/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine?
2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine is sourced from PubChem (CID 64945745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).