8-chloro-4-(4-methylpiperidin-1-yl)cinnoline

C14H16ClN3 — CID 20922965

IUPAC8-chloro-4-(4-methylpiperidin-1-yl)cinnoline
SMILESCC1CCN(c2cnnc3c(Cl)cccc23)CC1
InChIInChI=1S/C14H16ClN3/c1-10-5-7-18(8-6-10)13-9-16-17-14-11(13)3-2-4-12(14)15/h2-4,9-10H,5-8H2,1H3
InChIKeyYNGVBOJTRKYCSP-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.52
Rot. Bonds1

About 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline

8-chloro-4-(4-methylpiperidin-1-yl)cinnoline (PubChem CID 20922965) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline.

Molecular Properties

Compound Name8-chloro-4-(4-methylpiperidin-1-yl)cinnoline
PubChem CID20922965
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name8-chloro-4-(4-methylpiperidin-1-yl)cinnoline
SMILESCC1CCN(c2cnnc3c(Cl)cccc23)CC1
InChIInChI=1S/C14H16ClN3/c1-10-5-7-18(8-6-10)13-9-16-17-14-11(13)3-2-4-12(14)15/h2-4,9-10H,5-8H2,1H3
InChIKeyYNGVBOJTRKYCSP-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline?
The IUPAC name of 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline (CID 20922965) is 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline.
What is the SMILES notation for 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline?
The canonical SMILES for 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline is CC1CCN(c2cnnc3c(Cl)cccc23)CC1.
What is the InChIKey of 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline?
The InChIKey is YNGVBOJTRKYCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-5-7-18(8-6-10)13-9-16-17-14-11(13)3-2-4-12(14)15/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline?
8-chloro-4-(4-methylpiperidin-1-yl)cinnoline has a molecular weight of 261.76 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-methylpiperidin-1-yl)cinnoline is sourced from PubChem (CID 20922965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).