(2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride

C15H24ClNO — CID 16720957

IUPAC(2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride
SMILESCCN1CCCC[C@@H]1[C@H](CO)c1ccccc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-16-11-7-6-10-15(16)14(12-17)13-8-4-3-5-9-13;/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3;1H/t14-,15-;/m1./s1
InChIKeySXBGSGKJIAMWDZ-CTHHTMFSSA-N
MW269.82 g/mol
LogP3.06
Rot. Bonds4

About (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride

(2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride (PubChem CID 16720957) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride
PubChem CID16720957
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name(2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride
SMILESCCN1CCCC[C@@H]1[C@H](CO)c1ccccc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-16-11-7-6-10-15(16)14(12-17)13-8-4-3-5-9-13;/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3;1H/t14-,15-;/m1./s1
InChIKeySXBGSGKJIAMWDZ-CTHHTMFSSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride?
The IUPAC name of (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride (CID 16720957) is (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride?
The canonical SMILES for (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride is CCN1CCCC[C@@H]1[C@H](CO)c1ccccc1.Cl.
What is the InChIKey of (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride?
The InChIKey is SXBGSGKJIAMWDZ-CTHHTMFSSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-2-16-11-7-6-10-15(16)14(12-17)13-8-4-3-5-9-13;/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3;1H/t14-,15-;/m1./s1.
What are the key properties of (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride?
(2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-1-ethylpiperidin-2-yl]-2-phenylethanol;hydrochloride is sourced from PubChem (CID 16720957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).