spiro[3H-isoquinoline-4,4'-piperidine]

C13H16N2 — CID 67182636

IUPACspiro[3H-isoquinoline-4,4'-piperidine]
SMILESC1=NCC2(CCNCC2)c2ccccc21
InChIInChI=1S/C13H16N2/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13/h1-4,9,14H,5-8,10H2
InChIKeyAKQLGKYCCRIIMZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.74
Rot. Bonds

About spiro[3H-isoquinoline-4,4'-piperidine]

spiro[3H-isoquinoline-4,4'-piperidine] (PubChem CID 67182636) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is spiro[3H-isoquinoline-4,4'-piperidine].

Molecular Properties

Compound Namespiro[3H-isoquinoline-4,4'-piperidine]
PubChem CID67182636
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Namespiro[3H-isoquinoline-4,4'-piperidine]
SMILESC1=NCC2(CCNCC2)c2ccccc21
InChIInChI=1S/C13H16N2/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13/h1-4,9,14H,5-8,10H2
InChIKeyAKQLGKYCCRIIMZ-UHFFFAOYSA-N
XLogP1.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[3H-isoquinoline-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[3H-isoquinoline-4,4'-piperidine]?
The IUPAC name of spiro[3H-isoquinoline-4,4'-piperidine] (CID 67182636) is spiro[3H-isoquinoline-4,4'-piperidine].
What is the SMILES notation for spiro[3H-isoquinoline-4,4'-piperidine]?
The canonical SMILES for spiro[3H-isoquinoline-4,4'-piperidine] is C1=NCC2(CCNCC2)c2ccccc21.
What is the InChIKey of spiro[3H-isoquinoline-4,4'-piperidine]?
The InChIKey is AKQLGKYCCRIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13/h1-4,9,14H,5-8,10H2.
What are the key properties of spiro[3H-isoquinoline-4,4'-piperidine]?
spiro[3H-isoquinoline-4,4'-piperidine] has a molecular weight of 200.29 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-isoquinoline-4,4'-piperidine] is sourced from PubChem (CID 67182636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).