(1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol

C14H19NO — CID 10822654

IUPAC(1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol
SMILESCN1CC=CC[C@H]1C[C@@H](O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-8,13-14,16H,9-11H2,1H3/t13-,14+/m0/s1
InChIKeyNTGXMBJLVYSWLO-UONOGXRCSA-N
MW217.31 g/mol
LogP2.37
Rot. Bonds3

About (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol

(1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol (PubChem CID 10822654) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol
PubChem CID10822654
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol
SMILESCN1CC=CC[C@H]1C[C@@H](O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-8,13-14,16H,9-11H2,1H3/t13-,14+/m0/s1
InChIKeyNTGXMBJLVYSWLO-UONOGXRCSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol (CID 10822654) is (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol is CN1CC=CC[C@H]1C[C@@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol?
The InChIKey is NTGXMBJLVYSWLO-UONOGXRCSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-8,13-14,16H,9-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol?
(1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol has a molecular weight of 217.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol is sourced from PubChem (CID 10822654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).