4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol

C15H21NO — CID 22393845

IUPAC4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol
SMILESCCCC1C=CCCN1Cc1ccc(O)cc1
InChIInChI=1S/C15H21NO/c1-2-5-14-6-3-4-11-16(14)12-13-7-9-15(17)10-8-13/h3,6-10,14,17H,2,4-5,11-12H2,1H3
InChIKeyXEVAQMULULIICH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.32
Rot. Bonds4

About 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol

4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol (PubChem CID 22393845) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol
PubChem CID22393845
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol
SMILESCCCC1C=CCCN1Cc1ccc(O)cc1
InChIInChI=1S/C15H21NO/c1-2-5-14-6-3-4-11-16(14)12-13-7-9-15(17)10-8-13/h3,6-10,14,17H,2,4-5,11-12H2,1H3
InChIKeyXEVAQMULULIICH-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-dibenzyl-3,6-dihydro-2H-pyridine
CID 11196325
4-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenol
CID 84786229
4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505171
4-[(3-methylmorpholin-4-yl)methyl]phenol
CID 82972800
N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide
CID 50960208
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
methyl 3-[[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate
CID 82358789
4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 79015530
[(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol
CID 10800409
4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol
CID 80670897
4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82973086
4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82975258

Frequently Asked Questions

What is the IUPAC name of 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol?
The IUPAC name of 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol (CID 22393845) is 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol is CCCC1C=CCCN1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol?
The InChIKey is XEVAQMULULIICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-5-14-6-3-4-11-16(14)12-13-7-9-15(17)10-8-13/h3,6-10,14,17H,2,4-5,11-12H2,1H3.
What are the key properties of 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol?
4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol has a molecular weight of 231.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol is sourced from PubChem (CID 22393845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).