2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol

C13H17NO — CID 6424703

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol
SMILESOCC(c1ccccc1)N1CC=CCC1
InChIInChI=1S/C13H17NO/c15-11-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14/h1-5,7-8,13,15H,6,9-11H2
InChIKeyHNOGPCNQXOTWBT-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.98
Rot. Bonds3

About 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol

2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol (PubChem CID 6424703) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol
PubChem CID6424703
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol
SMILESOCC(c1ccccc1)N1CC=CCC1
InChIInChI=1S/C13H17NO/c15-11-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14/h1-5,7-8,13,15H,6,9-11H2
InChIKeyHNOGPCNQXOTWBT-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.98
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 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol (CID 6424703) is 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol is OCC(c1ccccc1)N1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol?
The InChIKey is HNOGPCNQXOTWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-11-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14/h1-5,7-8,13,15H,6,9-11H2.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol?
2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol has a molecular weight of 203.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanol is sourced from PubChem (CID 6424703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).