2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol

C19H23FN2O — CID 19689670

IUPAC2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol
SMILESOCC(NC1CCCNC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c20-16-10-8-14(9-11-16)18(13-23)22-17-7-4-12-21-19(17)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-19,21-23H,4,7,12-13H2
InChIKeySBBCNNMSQPLWMD-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol

2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol (PubChem CID 19689670) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol
PubChem CID19689670
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol
SMILESOCC(NC1CCCNC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c20-16-10-8-14(9-11-16)18(13-23)22-17-7-4-12-21-19(17)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-19,21-23H,4,7,12-13H2
InChIKeySBBCNNMSQPLWMD-UHFFFAOYSA-N
XLogP2.94
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol (CID 19689670) is 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol is OCC(NC1CCCNC1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol?
The InChIKey is SBBCNNMSQPLWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-16-10-8-14(9-11-16)18(13-23)22-17-7-4-12-21-19(17)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-19,21-23H,4,7,12-13H2.
What are the key properties of 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol?
2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol has a molecular weight of 314.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[(2-phenylpiperidin-3-yl)amino]ethanol is sourced from PubChem (CID 19689670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).