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

C14H21NO2 — CID 82974482

IUPAC2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCC(C)CC2)ccc1O
InChIInChI=1S/C14H21NO2/c1-11-5-7-15(8-6-11)10-12-3-4-13(16)14(9-12)17-2/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeySPMYMDCCXPGBDI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds3

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

2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol (PubChem CID 82974482) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
PubChem CID82974482
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCC(C)CC2)ccc1O
InChIInChI=1S/C14H21NO2/c1-11-5-7-15(8-6-11)10-12-3-4-13(16)14(9-12)17-2/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeySPMYMDCCXPGBDI-UHFFFAOYSA-N
XLogP2.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroperoxy-3-methoxyphenyl)methyl]-4-methylpiperidine
CID 143148512
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
CID 82981625
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982082
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
2-methoxy-4-[[(3R)-3-prop-2-enoxypyrrolidin-1-yl]methyl]phenol
CID 100717167
(4-benzylpiperazin-1-yl)-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 1096570
3-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65054045
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 84745879
2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980162

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol (CID 82974482) is 2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol is COc1cc(CN2CCC(C)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol?
The InChIKey is SPMYMDCCXPGBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-5-7-15(8-6-11)10-12-3-4-13(16)14(9-12)17-2/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of 2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol?
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82974482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).