(2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol

C13H18FNO — CID 52947218

IUPAC(2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol
SMILESOC[C@H](c1cccc(F)c1)[C@H]1CCCCN1
InChIInChI=1S/C13H18FNO/c14-11-5-3-4-10(8-11)12(9-16)13-6-1-2-7-15-13/h3-5,8,12-13,15-16H,1-2,6-7,9H2/t12-,13-/m1/s1
InChIKeyAXNMDZNGNYLXHQ-CHWSQXEVSA-N
MW223.29 g/mol
LogP2.04
Rot. Bonds3

About (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol

(2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol (PubChem CID 52947218) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol
PubChem CID52947218
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol
SMILESOC[C@H](c1cccc(F)c1)[C@H]1CCCCN1
InChIInChI=1S/C13H18FNO/c14-11-5-3-4-10(8-11)12(9-16)13-6-1-2-7-15-13/h3-5,8,12-13,15-16H,1-2,6-7,9H2/t12-,13-/m1/s1
InChIKeyAXNMDZNGNYLXHQ-CHWSQXEVSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol?
The IUPAC name of (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol (CID 52947218) is (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol is OC[C@H](c1cccc(F)c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol?
The InChIKey is AXNMDZNGNYLXHQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18FNO/c14-11-5-3-4-10(8-11)12(9-16)13-6-1-2-7-15-13/h3-5,8,12-13,15-16H,1-2,6-7,9H2/t12-,13-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol?
(2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-2-[(2R)-piperidin-2-yl]ethanol is sourced from PubChem (CID 52947218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).