4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

C11H16N2 — CID 143449399

IUPAC4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESC1=NC(N2CCCCC2)=CC2CC12
InChIInChI=1S/C11H16N2/c1-2-4-13(5-3-1)11-7-9-6-10(9)8-12-11/h7-10H,1-6H2
InChIKeyQHIRLPCDNSPGFH-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.03
Rot. Bonds1

About 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143449399) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID143449399
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESC1=NC(N2CCCCC2)=CC2CC12
InChIInChI=1S/C11H16N2/c1-2-4-13(5-3-1)11-7-9-6-10(9)8-12-11/h7-10H,1-6H2
InChIKeyQHIRLPCDNSPGFH-UHFFFAOYSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Methylpiperazin-1-yl)-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 142884381
Ethane;5-methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449342
Ethane;4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449398
3-Methyl-6-piperidin-1-yl-3,4-dihydropyridine
CID 146281395
6-(4-Ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane
CID 178001646
5-Methyl-4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 143449343
6-(4-Ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine
CID 178001647

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 143449399) is 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is C1=NC(N2CCCCC2)=CC2CC12.
What is the InChIKey of 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is QHIRLPCDNSPGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-4-13(5-3-1)11-7-9-6-10(9)8-12-11/h7-10H,1-6H2.
What are the key properties of 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 176.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143449399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).