5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]

C15H19FN2 — CID 168997777

IUPAC5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]
SMILESC=C1Nc2ccc(C(C)F)cc2C12CCNCC2
InChIInChI=1S/C15H19FN2/c1-10(16)12-3-4-14-13(9-12)15(11(2)18-14)5-7-17-8-6-15/h3-4,9-10,17-18H,2,5-8H2,1H3
InChIKeyMMMALQPIXSVVNF-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.28
Rot. Bonds1

About 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]

5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine] (PubChem CID 168997777) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine].

Molecular Properties

Compound Name5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]
PubChem CID168997777
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]
SMILESC=C1Nc2ccc(C(C)F)cc2C12CCNCC2
InChIInChI=1S/C15H19FN2/c1-10(16)12-3-4-14-13(9-12)15(11(2)18-14)5-7-17-8-6-15/h3-4,9-10,17-18H,2,5-8H2,1H3
InChIKeyMMMALQPIXSVVNF-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]?
The IUPAC name of 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine] (CID 168997777) is 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine].
What is the SMILES notation for 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]?
The canonical SMILES for 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine] is C=C1Nc2ccc(C(C)F)cc2C12CCNCC2.
What is the InChIKey of 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]?
The InChIKey is MMMALQPIXSVVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10(16)12-3-4-14-13(9-12)15(11(2)18-14)5-7-17-8-6-15/h3-4,9-10,17-18H,2,5-8H2,1H3.
What are the key properties of 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]?
5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine] has a molecular weight of 246.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine] is sourced from PubChem (CID 168997777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).