6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde

C15H19NO2 — CID 10514515

IUPAC6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CCCC=C1CCCc1ccccc1O
InChIInChI=1S/C15H19NO2/c17-12-16-11-4-3-8-14(16)9-5-7-13-6-1-2-10-15(13)18/h1-2,6,8,10,12,18H,3-5,7,9,11H2
InChIKeyVFABRZMLXXALSK-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.85
Rot. Bonds5

About 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde

6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 10514515) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID10514515
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CCCC=C1CCCc1ccccc1O
InChIInChI=1S/C15H19NO2/c17-12-16-11-4-3-8-14(16)9-5-7-13-6-1-2-10-15(13)18/h1-2,6,8,10,12,18H,3-5,7,9,11H2
InChIKeyVFABRZMLXXALSK-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10130700
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(2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
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1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one
CID 127027339
(-)-3,4,5,6,7,8-Hexahydro-1-((4-hydroxyphenyl)methyl)(1H)-isoquinoline-2-carbaldehyde
CID 23460099
[2-[3-(1-formyl-3,4-dihydro-2H-pyridin-6-yl)propyl]phenyl] trifluoromethanesulfonate
CID 10714595
1-[4-(4-Hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one
CID 9115248
2-(Diethylaminoethyl)phenol
CID 54121427
2-[2-(Dimethylamino)propyl]phenol
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4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 157051129
Acetyl-[2-(4-hydroxyphenyl)ethyl]-dimethylazanium
CID 90730832

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde (CID 10514515) is 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde is O=CN1CCCC=C1CCCc1ccccc1O.
What is the InChIKey of 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is VFABRZMLXXALSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-12-16-11-4-3-8-14(16)9-5-7-13-6-1-2-10-15(13)18/h1-2,6,8,10,12,18H,3-5,7,9,11H2.
What are the key properties of 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde?
6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 245.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyphenyl)propyl]-3,4-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 10514515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).