2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol

C19H28FN3O — CID 91582523

IUPAC2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol
SMILESOC(CN1CC2(CCNCC2)c2cc(F)ccc21)C1CCNCC1
InChIInChI=1S/C19H28FN3O/c20-15-1-2-17-16(11-15)19(5-9-22-10-6-19)13-23(17)12-18(24)14-3-7-21-8-4-14/h1-2,11,14,18,21-22,24H,3-10,12-13H2
InChIKeyQWSOACUBUNGKNB-UHFFFAOYSA-N
MW333.45 g/mol
LogP1.63
Rot. Bonds3

About 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol

2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol (PubChem CID 91582523) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol
PubChem CID91582523
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol
SMILESOC(CN1CC2(CCNCC2)c2cc(F)ccc21)C1CCNCC1
InChIInChI=1S/C19H28FN3O/c20-15-1-2-17-16(11-15)19(5-9-22-10-6-19)13-23(17)12-18(24)14-3-7-21-8-4-14/h1-2,11,14,18,21-22,24H,3-10,12-13H2
InChIKeyQWSOACUBUNGKNB-UHFFFAOYSA-N
XLogP1.63
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol?
The IUPAC name of 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol (CID 91582523) is 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol?
The canonical SMILES for 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol is OC(CN1CC2(CCNCC2)c2cc(F)ccc21)C1CCNCC1.
What is the InChIKey of 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol?
The InChIKey is QWSOACUBUNGKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c20-15-1-2-17-16(11-15)19(5-9-22-10-6-19)13-23(17)12-18(24)14-3-7-21-8-4-14/h1-2,11,14,18,21-22,24H,3-10,12-13H2.
What are the key properties of 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol?
2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol has a molecular weight of 333.45 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 91582523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).