4-piperidin-1-ylcinnoline

C13H15N3 — CID 12027113

IUPAC4-piperidin-1-ylcinnoline
SMILESc1ccc2c(N3CCCCC3)cnnc2c1
InChIInChI=1S/C13H15N3/c1-4-8-16(9-5-1)13-10-14-15-12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyAZIPZWKZCFUTLU-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.62
Rot. Bonds1

About 4-piperidin-1-ylcinnoline

4-piperidin-1-ylcinnoline (PubChem CID 12027113) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-piperidin-1-ylcinnoline.

Molecular Properties

Compound Name4-piperidin-1-ylcinnoline
PubChem CID12027113
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-piperidin-1-ylcinnoline
SMILESc1ccc2c(N3CCCCC3)cnnc2c1
InChIInChI=1S/C13H15N3/c1-4-8-16(9-5-1)13-10-14-15-12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyAZIPZWKZCFUTLU-UHFFFAOYSA-N
XLogP2.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylcinnoline?
The IUPAC name of 4-piperidin-1-ylcinnoline (CID 12027113) is 4-piperidin-1-ylcinnoline.
What is the SMILES notation for 4-piperidin-1-ylcinnoline?
The canonical SMILES for 4-piperidin-1-ylcinnoline is c1ccc2c(N3CCCCC3)cnnc2c1.
What is the InChIKey of 4-piperidin-1-ylcinnoline?
The InChIKey is AZIPZWKZCFUTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-4-8-16(9-5-1)13-10-14-15-12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 4-piperidin-1-ylcinnoline?
4-piperidin-1-ylcinnoline has a molecular weight of 213.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylcinnoline is sourced from PubChem (CID 12027113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).