1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine

C12H22N2 — CID 2846568

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine
SMILESCN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C12H22N2/c1-13-4-6-14(7-5-13)12-9-10-2-3-11(12)8-10/h10-12H,2-9H2,1H3
InChIKeyRAWVLJSYXIAGKW-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.42
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine (PubChem CID 2846568) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine
PubChem CID2846568
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine
SMILESCN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C12H22N2/c1-13-4-6-14(7-5-13)12-9-10-2-3-11(12)8-10/h10-12H,2-9H2,1H3
InChIKeyRAWVLJSYXIAGKW-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine (CID 2846568) is 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine is CN1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine?
The InChIKey is RAWVLJSYXIAGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-13-4-6-14(7-5-13)12-9-10-2-3-11(12)8-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperazine is sourced from PubChem (CID 2846568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).