1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine

C12H18N2 — CID 142861830

IUPAC1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine
SMILESC1=CCC=C(CN2CCNCC2)C=C1
InChIInChI=1S/C12H18N2/c1-2-4-6-12(5-3-1)11-14-9-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2
InChIKeyWZRJOQHNDMKNRU-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.33
Rot. Bonds2

About 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine

1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine (PubChem CID 142861830) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine
PubChem CID142861830
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine
SMILESC1=CCC=C(CN2CCNCC2)C=C1
InChIInChI=1S/C12H18N2/c1-2-4-6-12(5-3-1)11-14-9-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2
InChIKeyWZRJOQHNDMKNRU-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine?
The IUPAC name of 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine (CID 142861830) is 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine?
The canonical SMILES for 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine is C1=CCC=C(CN2CCNCC2)C=C1.
What is the InChIKey of 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine?
The InChIKey is WZRJOQHNDMKNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-4-6-12(5-3-1)11-14-9-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2.
What are the key properties of 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine?
1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepta-1,4,6-trien-1-ylmethyl)piperazine is sourced from PubChem (CID 142861830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).