2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol

C20H26N2O2 — CID 163317307

IUPAC2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol
SMILESCN1CCC(Oc2ccccc2Nc2ccc(CCO)cc2)CC1
InChIInChI=1S/C20H26N2O2/c1-22-13-10-18(11-14-22)24-20-5-3-2-4-19(20)21-17-8-6-16(7-9-17)12-15-23/h2-9,18,21,23H,10-15H2,1H3
InChIKeyBYZLRPGRTMJFBV-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.44
Rot. Bonds6

About 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol

2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol (PubChem CID 163317307) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol
PubChem CID163317307
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol
SMILESCN1CCC(Oc2ccccc2Nc2ccc(CCO)cc2)CC1
InChIInChI=1S/C20H26N2O2/c1-22-13-10-18(11-14-22)24-20-5-3-2-4-19(20)21-17-8-6-16(7-9-17)12-15-23/h2-9,18,21,23H,10-15H2,1H3
InChIKeyBYZLRPGRTMJFBV-UHFFFAOYSA-N
XLogP3.44
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]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-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol (CID 163317307) is 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol is CN1CCC(Oc2ccccc2Nc2ccc(CCO)cc2)CC1.
What is the InChIKey of 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol?
The InChIKey is BYZLRPGRTMJFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-22-13-10-18(11-14-22)24-20-5-3-2-4-19(20)21-17-8-6-16(7-9-17)12-15-23/h2-9,18,21,23H,10-15H2,1H3.
What are the key properties of 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol?
2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol has a molecular weight of 326.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol is sourced from PubChem (CID 163317307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).