1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

C14H17NO3 — CID 134158894

IUPAC1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c16-13(11-4-2-1-3-5-11)10-15-8-6-12(7-9-15)14(17)18/h1-6,13,16H,7-10H2,(H,17,18)
InChIKeyJRQBYSMEHOGIFE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.44
Rot. Bonds4

About 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 134158894) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID134158894
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c16-13(11-4-2-1-3-5-11)10-15-8-6-12(7-9-15)14(17)18/h1-6,13,16H,7-10H2,(H,17,18)
InChIKeyJRQBYSMEHOGIFE-UHFFFAOYSA-N
XLogP1.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 23371601
(1S)-2-[4-[(E)-2-(4-bromophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 6549292
ethyl 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridine-4-carboxylate
CID 134158951
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 40501801
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 114462451
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 134158894) is 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is O=C(O)C1=CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is JRQBYSMEHOGIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(11-4-2-1-3-5-11)10-15-8-6-12(7-9-15)14(17)18/h1-6,13,16H,7-10H2,(H,17,18).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 134158894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).