8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline

C15H18ClN3 — CID 20922976

IUPAC8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline
SMILESCC1CC(C)CN(c2cnnc3c(Cl)cccc23)C1
InChIInChI=1S/C15H18ClN3/c1-10-6-11(2)9-19(8-10)14-7-17-18-15-12(14)4-3-5-13(15)16/h3-5,7,10-11H,6,8-9H2,1-2H3
InChIKeyONLSGEIFPSIZQI-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.77
Rot. Bonds1

About 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline

8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline (PubChem CID 20922976) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline.

Molecular Properties

Compound Name8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline
PubChem CID20922976
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline
SMILESCC1CC(C)CN(c2cnnc3c(Cl)cccc23)C1
InChIInChI=1S/C15H18ClN3/c1-10-6-11(2)9-19(8-10)14-7-17-18-15-12(14)4-3-5-13(15)16/h3-5,7,10-11H,6,8-9H2,1-2H3
InChIKeyONLSGEIFPSIZQI-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline?
The IUPAC name of 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline (CID 20922976) is 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline.
What is the SMILES notation for 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline?
The canonical SMILES for 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline is CC1CC(C)CN(c2cnnc3c(Cl)cccc23)C1.
What is the InChIKey of 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline?
The InChIKey is ONLSGEIFPSIZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10-6-11(2)9-19(8-10)14-7-17-18-15-12(14)4-3-5-13(15)16/h3-5,7,10-11H,6,8-9H2,1-2H3.
What are the key properties of 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline?
8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline has a molecular weight of 275.78 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline is sourced from PubChem (CID 20922976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).