1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine

C19H34N2 — CID 79559224

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine
SMILESCCC(C)C1CN(CC2CC3CCC2C3)C(C2CC2)CN1
InChIInChI=1S/C19H34N2/c1-3-13(2)18-12-21(19(10-20-18)15-6-7-15)11-17-9-14-4-5-16(17)8-14/h13-20H,3-12H2,1-2H3
InChIKeyZDBGTQDKOPJHCU-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.52
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine (PubChem CID 79559224) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine
PubChem CID79559224
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine
SMILESCCC(C)C1CN(CC2CC3CCC2C3)C(C2CC2)CN1
InChIInChI=1S/C19H34N2/c1-3-13(2)18-12-21(19(10-20-18)15-6-7-15)11-17-9-14-4-5-16(17)8-14/h13-20H,3-12H2,1-2H3
InChIKeyZDBGTQDKOPJHCU-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine
CID 79550803
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-butan-2-yl-5-cyclopropylpiperazine
CID 79559332
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015
5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414273
5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013061
5-butan-2-yl-2-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170235
5-butan-2-yl-2-cyclohexyl-1-methylpiperazine
CID 64847673
5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644908
5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64848434
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-cyclopropylpiperazine
CID 64848627
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine
CID 79550086

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine (CID 79559224) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine is CCC(C)C1CN(CC2CC3CCC2C3)C(C2CC2)CN1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine?
The InChIKey is ZDBGTQDKOPJHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-13(2)18-12-21(19(10-20-18)15-6-7-15)11-17-9-14-4-5-16(17)8-14/h13-20H,3-12H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine has a molecular weight of 290.50 g/mol, XLogP of 3.52, 5 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)-5-butan-2-yl-2-cyclopropylpiperazine is sourced from PubChem (CID 79559224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).