[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol

C15H23NO2 — CID 66060007

IUPAC[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(C)cc1CC1(CO)CCCNC1
InChIInChI=1S/C15H23NO2/c1-12-4-5-14(18-2)13(8-12)9-15(11-17)6-3-7-16-10-15/h4-5,8,16-17H,3,6-7,9-11H2,1-2H3
InChIKeyDGHMFPNWDNMXNL-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.91
Rot. Bonds4

About [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol

[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 66060007) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID66060007
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(C)cc1CC1(CO)CCCNC1
InChIInChI=1S/C15H23NO2/c1-12-4-5-14(18-2)13(8-12)9-15(11-17)6-3-7-16-10-15/h4-5,8,16-17H,3,6-7,9-11H2,1-2H3
InChIKeyDGHMFPNWDNMXNL-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005
3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 83823068
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
CID 66060227
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
3-(2-methoxy-5-methylphenyl)piperidin-3-ol
CID 63587735
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65196166
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol (CID 66060007) is [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol is COc1ccc(C)cc1CC1(CO)CCCNC1.
What is the InChIKey of [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is DGHMFPNWDNMXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-4-5-14(18-2)13(8-12)9-15(11-17)6-3-7-16-10-15/h4-5,8,16-17H,3,6-7,9-11H2,1-2H3.
What are the key properties of [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol?
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 66060007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).