1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one

C14H17NO2 — CID 162973411

IUPAC1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1C=C[C@@H](O)CC1
InChIInChI=1S/C14H17NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-5,8,10,13,16H,6-7,9,11H2/t13-/m1/s1
InChIKeyIGRJBTVEXGGCBK-CYBMUJFWSA-N
MW231.30 g/mol
LogP1.73
Rot. Bonds3

About 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one

1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one (PubChem CID 162973411) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one
PubChem CID162973411
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1C=C[C@@H](O)CC1
InChIInChI=1S/C14H17NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-5,8,10,13,16H,6-7,9,11H2/t13-/m1/s1
InChIKeyIGRJBTVEXGGCBK-CYBMUJFWSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one (CID 162973411) is 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1C=C[C@@H](O)CC1.
What is the InChIKey of 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one?
The InChIKey is IGRJBTVEXGGCBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-5,8,10,13,16H,6-7,9,11H2/t13-/m1/s1.
What are the key properties of 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one?
1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one has a molecular weight of 231.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 162973411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).