[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol

C15H23NO3 — CID 2843312

IUPAC[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(OC)c(CN2CCCC(CO)C2)c1
InChIInChI=1S/C15H23NO3/c1-18-14-5-6-15(19-2)13(8-14)10-16-7-3-4-12(9-16)11-17/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3
InChIKeySKJLZHXVXSIVQB-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.91
Rot. Bonds5

About [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol

[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 2843312) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol
PubChem CID2843312
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(OC)c(CN2CCCC(CO)C2)c1
InChIInChI=1S/C15H23NO3/c1-18-14-5-6-15(19-2)13(8-14)10-16-7-3-4-12(9-16)11-17/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3
InChIKeySKJLZHXVXSIVQB-UHFFFAOYSA-N
XLogP1.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol (CID 2843312) is [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol is COc1ccc(OC)c(CN2CCCC(CO)C2)c1.
What is the InChIKey of [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is SKJLZHXVXSIVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-14-5-6-15(19-2)13(8-14)10-16-7-3-4-12(9-16)11-17/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3.
What are the key properties of [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol?
[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 265.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 2843312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).