1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine

C13H17N — CID 15468712

IUPAC1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
SMILESC[C@H](c1ccccc1)N1CC=CCC1
InChIInChI=1S/C13H17N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-6,8-9,12H,7,10-11H2,1H3/t12-/m1/s1
InChIKeyYMNCZVSNJMSDIK-GFCCVEGCSA-N
MW187.29 g/mol
LogP3.01
Rot. Bonds2

About 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine

1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine (PubChem CID 15468712) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
PubChem CID15468712
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
SMILESC[C@H](c1ccccc1)N1CC=CCC1
InChIInChI=1S/C13H17N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-6,8-9,12H,7,10-11H2,1H3/t12-/m1/s1
InChIKeyYMNCZVSNJMSDIK-GFCCVEGCSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol
CID 15468731
1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-azepin-7-one
CID 135044353
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
CID 119924296
(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
CID 102227667
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate
CID 72745116
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
1-(1-bromoethyl)-3,6-dihydro-2H-pyridine
CID 174278669

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine (CID 15468712) is 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine is C[C@H](c1ccccc1)N1CC=CCC1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is YMNCZVSNJMSDIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-6,8-9,12H,7,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15468712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).