2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine]

C17H22ClN — CID 91135571

IUPAC2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine]
SMILESCC(C)(C)C1=Cc2cc(Cl)ccc2C12CCNCC2
InChIInChI=1S/C17H22ClN/c1-16(2,3)15-11-12-10-13(18)4-5-14(12)17(15)6-8-19-9-7-17/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyVOOUISHKNMFVII-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.40
Rot. Bonds

About 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine]

2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine] (PubChem CID 91135571) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine]
PubChem CID91135571
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine]
SMILESCC(C)(C)C1=Cc2cc(Cl)ccc2C12CCNCC2
InChIInChI=1S/C17H22ClN/c1-16(2,3)15-11-12-10-13(18)4-5-14(12)17(15)6-8-19-9-7-17/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyVOOUISHKNMFVII-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine]?
The IUPAC name of 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine] (CID 91135571) is 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine].
What is the SMILES notation for 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine]?
The canonical SMILES for 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine] is CC(C)(C)C1=Cc2cc(Cl)ccc2C12CCNCC2.
What is the InChIKey of 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine]?
The InChIKey is VOOUISHKNMFVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN/c1-16(2,3)15-11-12-10-13(18)4-5-14(12)17(15)6-8-19-9-7-17/h4-5,10-11,19H,6-9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine]?
2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine] has a molecular weight of 275.82 g/mol, XLogP of 4.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chlorospiro[indene-1,4'-piperidine] is sourced from PubChem (CID 91135571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).