1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]

C24H29N — CID 127034023

IUPAC1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2
InChIInChI=1S/C24H29N/c1-2-7-22-17-19(9-10-20(22)5-1)18-25-15-13-24(14-16-25)12-11-21-6-3-4-8-23(21)24/h1-8,19H,9-18H2
InChIKeyYJMRQGRZSJFPFQ-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.77
Rot. Bonds2

About 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]

1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 127034023) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID127034023
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2
InChIInChI=1S/C24H29N/c1-2-7-22-17-19(9-10-20(22)5-1)18-25-15-13-24(14-16-25)12-11-21-6-3-4-8-23(21)24/h1-8,19H,9-18H2
InChIKeyYJMRQGRZSJFPFQ-UHFFFAOYSA-N
XLogP4.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (CID 127034023) is 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is c1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2.
What is the InChIKey of 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is YJMRQGRZSJFPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-2-7-22-17-19(9-10-20(22)5-1)18-25-15-13-24(14-16-25)12-11-21-6-3-4-8-23(21)24/h1-8,19H,9-18H2.
What are the key properties of 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 331.50 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 127034023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).