2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol

C16H25NO2 — CID 82979967

IUPAC2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
SMILESCCCC1CCN(Cc2cccc(OC)c2O)CC1
InChIInChI=1S/C16H25NO2/c1-3-5-13-8-10-17(11-9-13)12-14-6-4-7-15(19-2)16(14)18/h4,6-7,13,18H,3,5,8-12H2,1-2H3
InChIKeyKQYVOOJYQOOXDF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.41
Rot. Bonds5

About 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol

2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol (PubChem CID 82979967) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
PubChem CID82979967
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
SMILESCCCC1CCN(Cc2cccc(OC)c2O)CC1
InChIInChI=1S/C16H25NO2/c1-3-5-13-8-10-17(11-9-13)12-14-6-4-7-15(19-2)16(14)18/h4,6-7,13,18H,3,5,8-12H2,1-2H3
InChIKeyKQYVOOJYQOOXDF-UHFFFAOYSA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 44529534
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol
CID 95135561
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82962319
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 115970486
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104792852
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 123132440

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol (CID 82979967) is 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol is CCCC1CCN(Cc2cccc(OC)c2O)CC1.
What is the InChIKey of 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol?
The InChIKey is KQYVOOJYQOOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-13-8-10-17(11-9-13)12-14-6-4-7-15(19-2)16(14)18/h4,6-7,13,18H,3,5,8-12H2,1-2H3.
What are the key properties of 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol?
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82979967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).