spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]

C13H20N2 — CID 71070007

IUPACspiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]
SMILESC1=CC2=C(CC1)CNCC21CCNCC1
InChIInChI=1S/C13H20N2/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13/h2,4,14-15H,1,3,5-10H2
InChIKeyKUUSKZGIZNHXHT-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.61
Rot. Bonds

About spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]

spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine] (PubChem CID 71070007) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine].

Molecular Properties

Compound Namespiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]
PubChem CID71070007
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Namespiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]
SMILESC1=CC2=C(CC1)CNCC21CCNCC1
InChIInChI=1S/C13H20N2/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13/h2,4,14-15H,1,3,5-10H2
InChIKeyKUUSKZGIZNHXHT-UHFFFAOYSA-N
XLogP1.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]?
The IUPAC name of spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine] (CID 71070007) is spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine].
What is the SMILES notation for spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]?
The canonical SMILES for spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine] is C1=CC2=C(CC1)CNCC21CCNCC1.
What is the InChIKey of spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]?
The InChIKey is KUUSKZGIZNHXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13/h2,4,14-15H,1,3,5-10H2.
What are the key properties of spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine]?
spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine] has a molecular weight of 204.32 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3,7,8-tetrahydro-1H-isoquinoline-4,4'-piperidine] is sourced from PubChem (CID 71070007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).