1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine

C18H34N2 — CID 79550086

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine
SMILESCCCC1CN(CC2CC3CCC2C3)C(CCC)CN1
InChIInChI=1S/C18H34N2/c1-3-5-17-13-20(18(6-4-2)11-19-17)12-16-10-14-7-8-15(16)9-14/h14-19H,3-13H2,1-2H3
InChIKeyCOCACSRBFWYIEE-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.67
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine

1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine (PubChem CID 79550086) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine
PubChem CID79550086
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine
SMILESCCCC1CN(CC2CC3CCC2C3)C(CCC)CN1
InChIInChI=1S/C18H34N2/c1-3-5-17-13-20(18(6-4-2)11-19-17)12-16-10-14-7-8-15(16)9-14/h14-19H,3-13H2,1-2H3
InChIKeyCOCACSRBFWYIEE-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine
CID 79550176
2-cyclopropyl-1-ethyl-5-propylpiperazine
CID 64838589
1-(cyclobutylmethyl)-2-ethyl-5-propylpiperazine
CID 64936155
1-(cyclopentylmethyl)-5-ethyl-2-propylpiperazine
CID 64842116
1-(cyclopentylmethyl)-2-ethyl-5-propylpiperazine
CID 64845195
1-(2-bicyclo[2.2.1]heptanyl)-2-methyl-5-propylpiperazine
CID 64942050
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine
CID 79550803
1-(3-fluoropropyl)-2,5-dipropylpiperazine
CID 81114186
2-cyclopropyl-1-(cyclopropylmethyl)-5-propylpiperazine
CID 64838783
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83256941
1-(2-ethoxyethyl)-2,5-dipropylpiperazine
CID 64844595

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine (CID 79550086) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine is CCCC1CN(CC2CC3CCC2C3)C(CCC)CN1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine?
The InChIKey is COCACSRBFWYIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-5-17-13-20(18(6-4-2)11-19-17)12-16-10-14-7-8-15(16)9-14/h14-19H,3-13H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine has a molecular weight of 278.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine is sourced from PubChem (CID 79550086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).