(2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride

C17H26ClNO2 — CID 131885053

IUPAC(2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)C[C@@H]1C=CC[C@@H](C[C@H](O)c2ccccc2)N1C.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14;/h3-9,13,15-17,19-20H,10-12H2,1-2H3;1H/t13-,15+,16+,17+;/m1./s1
InChIKeyOKQAOAWOXCIDQQ-NFHHVJBHSA-N
MW311.85 g/mol
LogP2.93
Rot. Bonds5

About (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride

(2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride (PubChem CID 131885053) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride
PubChem CID131885053
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name(2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)C[C@@H]1C=CC[C@@H](C[C@H](O)c2ccccc2)N1C.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14;/h3-9,13,15-17,19-20H,10-12H2,1-2H3;1H/t13-,15+,16+,17+;/m1./s1
InChIKeyOKQAOAWOXCIDQQ-NFHHVJBHSA-N
XLogP2.93
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride?
The IUPAC name of (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride (CID 131885053) is (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride?
The canonical SMILES for (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride is C[C@@H](O)C[C@@H]1C=CC[C@@H](C[C@H](O)c2ccccc2)N1C.Cl.
What is the InChIKey of (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride?
The InChIKey is OKQAOAWOXCIDQQ-NFHHVJBHSA-N. The full InChI is InChI=1S/C17H25NO2.ClH/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14;/h3-9,13,15-17,19-20H,10-12H2,1-2H3;1H/t13-,15+,16+,17+;/m1./s1.
What are the key properties of (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride?
(2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride has a molecular weight of 311.85 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 131885053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).