1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine

C19H38N2 — CID 64931871

IUPAC1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(C2CCCC(C)C2C)C(C(C)C)CN1
InChIInChI=1S/C19H38N2/c1-7-19(8-2)13-21(18(12-20-19)14(3)4)17-11-9-10-15(5)16(17)6/h14-18,20H,7-13H2,1-6H3
InChIKeyYITYEADZQJVMBD-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds4

About 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine

1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine (PubChem CID 64931871) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine
PubChem CID64931871
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(C2CCCC(C)C2C)C(C(C)C)CN1
InChIInChI=1S/C19H38N2/c1-7-19(8-2)13-21(18(12-20-19)14(3)4)17-11-9-10-15(5)16(17)6/h14-18,20H,7-13H2,1-6H3
InChIKeyYITYEADZQJVMBD-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64932045
5,5-diethyl-1-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 64940929
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine
CID 64934232
3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 64932669
1-(2,3-dimethylcyclopentyl)-2,5,5-triethylpiperazine
CID 64941490
5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine
CID 64953097
1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine
CID 64924229
3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane
CID 64949999
5-cyclopropyl-1-(2,3-dimethylcyclohexyl)-2-ethyl-5-methylpiperazine
CID 64931862
5,5-diethyl-2-methyl-1-(2-methylcyclopropyl)piperazine
CID 64948522
1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine (CID 64931871) is 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine is CCC1(CC)CN(C2CCCC(C)C2C)C(C(C)C)CN1.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The InChIKey is YITYEADZQJVMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-7-19(8-2)13-21(18(12-20-19)14(3)4)17-11-9-10-15(5)16(17)6/h14-18,20H,7-13H2,1-6H3.
What are the key properties of 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine?
1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64931871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).