ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

C14H24N2 — CID 143449342

IUPACethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC.CC1=C(N2CCCCC2)N=CC2CC12
InChIInChI=1S/C12H18N2.C2H6/c1-9-11-7-10(11)8-13-12(9)14-5-3-2-4-6-14;1-2/h8,10-11H,2-7H2,1H3;1-2H3
InChIKeyDODCSGMKEQFLLV-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.45
Rot. Bonds1

About ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143449342) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Nameethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID143449342
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC.CC1=C(N2CCCCC2)N=CC2CC12
InChIInChI=1S/C12H18N2.C2H6/c1-9-11-7-10(11)8-13-12(9)14-5-3-2-4-6-14;1-2/h8,10-11H,2-7H2,1H3;1-2H3
InChIKeyDODCSGMKEQFLLV-UHFFFAOYSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethane;5-methyl-6-piperidin-1-yl-3,4-dihydropyridine
CID 143449244
ethane;6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine
CID 143449329
Ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449398
5-Methyl-6-piperidin-1-yl-3,4-dihydropyridine
CID 143449245
6-methyl-7-piperidin-1-yl-4,5-dihydro-3H-azepine
CID 143449330
5-Methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449343
4-Piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449399

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 143449342) is ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is CC.CC1=C(N2CCCCC2)N=CC2CC12.
What is the InChIKey of ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is DODCSGMKEQFLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-9-11-7-10(11)8-13-12(9)14-5-3-2-4-6-14;1-2/h8,10-11H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 220.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143449342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).