2-piperidin-1-ylbenzo[cd]indole

C16H16N2 — CID 759534

IUPAC2-piperidin-1-ylbenzo[cd]indole
SMILESc1cc2c3c(cccc3c1)C(N1CCCCC1)=N2
InChIInChI=1S/C16H16N2/c1-2-10-18(11-3-1)16-13-8-4-6-12-7-5-9-14(17-16)15(12)13/h4-9H,1-3,10-11H2
InChIKeyINABJDDLWNMADL-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.72
Rot. Bonds

About 2-piperidin-1-ylbenzo[cd]indole

2-piperidin-1-ylbenzo[cd]indole (PubChem CID 759534) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-piperidin-1-ylbenzo[cd]indole.

Molecular Properties

Compound Name2-piperidin-1-ylbenzo[cd]indole
PubChem CID759534
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-piperidin-1-ylbenzo[cd]indole
SMILESc1cc2c3c(cccc3c1)C(N1CCCCC1)=N2
InChIInChI=1S/C16H16N2/c1-2-10-18(11-3-1)16-13-8-4-6-12-7-5-9-14(17-16)15(12)13/h4-9H,1-3,10-11H2
InChIKeyINABJDDLWNMADL-UHFFFAOYSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylbenzo[cd]indole?
The IUPAC name of 2-piperidin-1-ylbenzo[cd]indole (CID 759534) is 2-piperidin-1-ylbenzo[cd]indole.
What is the SMILES notation for 2-piperidin-1-ylbenzo[cd]indole?
The canonical SMILES for 2-piperidin-1-ylbenzo[cd]indole is c1cc2c3c(cccc3c1)C(N1CCCCC1)=N2.
What is the InChIKey of 2-piperidin-1-ylbenzo[cd]indole?
The InChIKey is INABJDDLWNMADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-10-18(11-3-1)16-13-8-4-6-12-7-5-9-14(17-16)15(12)13/h4-9H,1-3,10-11H2.
What are the key properties of 2-piperidin-1-ylbenzo[cd]indole?
2-piperidin-1-ylbenzo[cd]indole has a molecular weight of 236.32 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylbenzo[cd]indole is sourced from PubChem (CID 759534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).