1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine

C18H34N2 — CID 64933143

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(C(C)C2CC3CCC2C3)C(C)CN1
InChIInChI=1S/C18H34N2/c1-5-18(6-2)12-20(13(3)11-19-18)14(4)17-10-15-7-8-16(17)9-15/h13-17,19H,5-12H2,1-4H3
InChIKeyBNFDQNBKVMOWEB-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.66
Rot. Bonds4

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine (PubChem CID 64933143) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine
PubChem CID64933143
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(C(C)C2CC3CCC2C3)C(C)CN1
InChIInChI=1S/C18H34N2/c1-5-18(6-2)12-20(13(3)11-19-18)14(4)17-10-15-7-8-16(17)9-15/h13-17,19H,5-12H2,1-4H3
InChIKeyBNFDQNBKVMOWEB-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine
CID 64952280
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine
CID 54975374
5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine
CID 64946647
5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine
CID 64941170
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64930178
5,5-diethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64862336
1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylimidazolidin-4-one
CID 83237826
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
CID 98294882
2-cyclopropyl-5,5-diethyl-1-(3-methylbutyl)piperazine
CID 64861980
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine (CID 64933143) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine is CCC1(CC)CN(C(C)C2CC3CCC2C3)C(C)CN1.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine?
The InChIKey is BNFDQNBKVMOWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-18(6-2)12-20(13(3)11-19-18)14(4)17-10-15-7-8-16(17)9-15/h13-17,19H,5-12H2,1-4H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine has a molecular weight of 278.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64933143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).