4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol

C20H25NO2 — CID 131924193

IUPAC4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
SMILESCOc1ccc(O)cc1CN1CCCC(c2cccc(C)c2)C1
InChIInChI=1S/C20H25NO2/c1-15-5-3-6-16(11-15)17-7-4-10-21(13-17)14-18-12-19(22)8-9-20(18)23-2/h3,5-6,8-9,11-12,17,22H,4,7,10,13-14H2,1-2H3
InChIKeyNPUVPOJPEZNIHO-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds4

About 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol

4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol (PubChem CID 131924193) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
PubChem CID131924193
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
SMILESCOc1ccc(O)cc1CN1CCCC(c2cccc(C)c2)C1
InChIInChI=1S/C20H25NO2/c1-15-5-3-6-16(11-15)17-7-4-10-21(13-17)14-18-12-19(22)8-9-20(18)23-2/h3,5-6,8-9,11-12,17,22H,4,7,10,13-14H2,1-2H3
InChIKeyNPUVPOJPEZNIHO-UHFFFAOYSA-N
XLogP4.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]benzoic acid
CID 97200432
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 77089209
2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
CID 95833193
N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 95189957
N-[[1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
CID 56752294
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)piperidine
CID 99939381
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol
CID 56869028
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol (CID 131924193) is 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol is COc1ccc(O)cc1CN1CCCC(c2cccc(C)c2)C1.
What is the InChIKey of 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol?
The InChIKey is NPUVPOJPEZNIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-5-3-6-16(11-15)17-7-4-10-21(13-17)14-18-12-19(22)8-9-20(18)23-2/h3,5-6,8-9,11-12,17,22H,4,7,10,13-14H2,1-2H3.
What are the key properties of 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol?
4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol has a molecular weight of 311.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 131924193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).