(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride

C13H20ClNO — CID 16719764

IUPAC(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
SMILESCl.OC[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C13H19NO.ClH/c15-10-12(11-6-2-1-3-7-11)13-8-4-5-9-14-13;/h1-3,6-7,12-15H,4-5,8-10H2;1H/t12-,13-;/m1./s1
InChIKeyMSIFGLUPJBRFEM-OJERSXHUSA-N
MW241.76 g/mol
LogP2.33
Rot. Bonds3

About (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride

(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride (PubChem CID 16719764) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
PubChem CID16719764
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
SMILESCl.OC[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C13H19NO.ClH/c15-10-12(11-6-2-1-3-7-11)13-8-4-5-9-14-13;/h1-3,6-7,12-15H,4-5,8-10H2;1H/t12-,13-;/m1./s1
InChIKeyMSIFGLUPJBRFEM-OJERSXHUSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride?
The IUPAC name of (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride (CID 16719764) is (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride?
The canonical SMILES for (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride is Cl.OC[C@H](c1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride?
The InChIKey is MSIFGLUPJBRFEM-OJERSXHUSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c15-10-12(11-6-2-1-3-7-11)13-8-4-5-9-14-13;/h1-3,6-7,12-15H,4-5,8-10H2;1H/t12-,13-;/m1./s1.
What are the key properties of (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride?
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride is sourced from PubChem (CID 16719764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).