2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol

C25H33FN4O — CID 171849713

IUPAC2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol
SMILESCN1CC2(CCC(N3CCN(c4ncc(F)cc4-c4ccc(CCO)cc4)CC3)C2)C1
InChIInChI=1S/C25H33FN4O/c1-28-17-25(18-28)8-6-22(15-25)29-9-11-30(12-10-29)24-23(14-21(26)16-27-24)20-4-2-19(3-5-20)7-13-31/h2-5,14,16,22,31H,6-13,15,17-18H2,1H3
InChIKeyOSXQSDRKKJNQKJ-UHFFFAOYSA-N
MW424.56 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol

2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol (PubChem CID 171849713) has the molecular formula C25H33FN4O and a molecular weight of 424.56 g/mol. Its IUPAC name is 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol
PubChem CID171849713
Molecular FormulaC25H33FN4O
Molecular Weight424.56 g/mol
Exact Mass424.26
IUPAC Name2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol
SMILESCN1CC2(CCC(N3CCN(c4ncc(F)cc4-c4ccc(CCO)cc4)CC3)C2)C1
InChIInChI=1S/C25H33FN4O/c1-28-17-25(18-28)8-6-22(15-25)29-9-11-30(12-10-29)24-23(14-21(26)16-27-24)20-4-2-19(3-5-20)7-13-31/h2-5,14,16,22,31H,6-13,15,17-18H2,1H3
InChIKeyOSXQSDRKKJNQKJ-UHFFFAOYSA-N
XLogP3.03
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol?
The IUPAC name of 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol (CID 171849713) is 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol is CN1CC2(CCC(N3CCN(c4ncc(F)cc4-c4ccc(CCO)cc4)CC3)C2)C1.
What is the InChIKey of 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol?
The InChIKey is OSXQSDRKKJNQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O/c1-28-17-25(18-28)8-6-22(15-25)29-9-11-30(12-10-29)24-23(14-21(26)16-27-24)20-4-2-19(3-5-20)7-13-31/h2-5,14,16,22,31H,6-13,15,17-18H2,1H3.
What are the key properties of 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol?
2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol has a molecular weight of 424.56 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]phenyl]ethanol is sourced from PubChem (CID 171849713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).