7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone

C14H24N2O — CID 81479273

IUPAC7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)C1C2CCCCC21
InChIInChI=1S/C14H24N2O/c1-9-7-15-8-10(2)16(9)14(17)13-11-5-3-4-6-12(11)13/h9-13,15H,3-8H2,1-2H3
InChIKeyJMTPDZIQBKBGDT-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds1

About 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone

7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 81479273) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID81479273
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)C1C2CCCCC21
InChIInChI=1S/C14H24N2O/c1-9-7-15-8-10(2)16(9)14(17)13-11-5-3-4-6-12(11)13/h9-13,15H,3-8H2,1-2H3
InChIKeyJMTPDZIQBKBGDT-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone (CID 81479273) is 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone is CC1CNCC(C)N1C(=O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is JMTPDZIQBKBGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-7-15-8-10(2)16(9)14(17)13-11-5-3-4-6-12(11)13/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone has a molecular weight of 236.36 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 81479273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).