(2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol

C17H27NO2 — CID 163194695

IUPAC(2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol
SMILESC[C@@H](O)C[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C
InChIInChI=1S/C17H27NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19-20H,6,9-12H2,1-2H3/t13-,15+,16+,17+/m1/s1
InChIKeyVYSOSWOCGBPIDU-IWCQGFGOSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds5

About (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol

(2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol (PubChem CID 163194695) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol
PubChem CID163194695
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol
SMILESC[C@@H](O)C[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C
InChIInChI=1S/C17H27NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19-20H,6,9-12H2,1-2H3/t13-,15+,16+,17+/m1/s1
InChIKeyVYSOSWOCGBPIDU-IWCQGFGOSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Trihexyphenidyl Hydrochloride
CID 66007
Diphenidol
CID 3055
Glemanserin
CID 71781
Cycrimine
CID 2911
N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
Tridihexethyl
CID 20299
Tridihexethyl Chloride
CID 20298
Cycrimine Hydrochloride
CID 101597
Cinnamedrine
CID 5370611

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol (CID 163194695) is (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol is C[C@@H](O)C[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C.
What is the InChIKey of (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol?
The InChIKey is VYSOSWOCGBPIDU-IWCQGFGOSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,19-20H,6,9-12H2,1-2H3/t13-,15+,16+,17+/m1/s1.
What are the key properties of (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol?
(2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-ol is sourced from PubChem (CID 163194695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).