1'-benzyl-5-methylspiro[indene-2,4'-piperidine]

C21H23N — CID 175775241

IUPAC1'-benzyl-5-methylspiro[indene-2,4'-piperidine]
SMILESCc1ccc2c(c1)=CC1(C=2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N/c1-17-7-8-19-14-21(15-20(19)13-17)9-11-22(12-10-21)16-18-5-3-2-4-6-18/h2-8,13-15H,9-12,16H2,1H3
InChIKeyHKEYQFHBSQEEKA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.85
Rot. Bonds2

About 1'-benzyl-5-methylspiro[indene-2,4'-piperidine]

1'-benzyl-5-methylspiro[indene-2,4'-piperidine] (PubChem CID 175775241) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 1'-benzyl-5-methylspiro[indene-2,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-5-methylspiro[indene-2,4'-piperidine]
PubChem CID175775241
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name1'-benzyl-5-methylspiro[indene-2,4'-piperidine]
SMILESCc1ccc2c(c1)=CC1(C=2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N/c1-17-7-8-19-14-21(15-20(19)13-17)9-11-22(12-10-21)16-18-5-3-2-4-6-18/h2-8,13-15H,9-12,16H2,1H3
InChIKeyHKEYQFHBSQEEKA-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-methylspiro[indene-2,4'-piperidine]?
The IUPAC name of 1'-benzyl-5-methylspiro[indene-2,4'-piperidine] (CID 175775241) is 1'-benzyl-5-methylspiro[indene-2,4'-piperidine].
What is the SMILES notation for 1'-benzyl-5-methylspiro[indene-2,4'-piperidine]?
The canonical SMILES for 1'-benzyl-5-methylspiro[indene-2,4'-piperidine] is Cc1ccc2c(c1)=CC1(C=2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1'-benzyl-5-methylspiro[indene-2,4'-piperidine]?
The InChIKey is HKEYQFHBSQEEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-17-7-8-19-14-21(15-20(19)13-17)9-11-22(12-10-21)16-18-5-3-2-4-6-18/h2-8,13-15H,9-12,16H2,1H3.
What are the key properties of 1'-benzyl-5-methylspiro[indene-2,4'-piperidine]?
1'-benzyl-5-methylspiro[indene-2,4'-piperidine] has a molecular weight of 289.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-methylspiro[indene-2,4'-piperidine] is sourced from PubChem (CID 175775241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).