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

C14H21NO2 — CID 126696055

IUPAC[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol
SMILESCOc1ccc(N2CCC(CO)CC2)cc1C
InChIInChI=1S/C14H21NO2/c1-11-9-13(3-4-14(11)17-2)15-7-5-12(10-16)6-8-15/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyKDXPMOBKWCEHQE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds3

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

[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol (PubChem CID 126696055) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol
PubChem CID126696055
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol
SMILESCOc1ccc(N2CCC(CO)CC2)cc1C
InChIInChI=1S/C14H21NO2/c1-11-9-13(3-4-14(11)17-2)15-7-5-12(10-16)6-8-15/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyKDXPMOBKWCEHQE-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951
N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512616
[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]methanol
CID 47281098
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 64865831
1-(4-methoxy-3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 54964622
1-[4-(cyclobutylmethoxy)-3-methylphenyl]-1,4-diazepane
CID 65461450
3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine
CID 64926348
3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926350

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol (CID 126696055) is [1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol is COc1ccc(N2CCC(CO)CC2)cc1C.
What is the InChIKey of [1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol?
The InChIKey is KDXPMOBKWCEHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-9-13(3-4-14(11)17-2)15-7-5-12(10-16)6-8-15/h3-4,9,12,16H,5-8,10H2,1-2H3.
What are the key properties of [1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol?
[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 126696055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).