[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol

C14H21NO3 — CID 117028012

IUPAC[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol
SMILESCOc1ccc(N2CCCCC2CO)cc1OC
InChIInChI=1S/C14H21NO3/c1-17-13-7-6-11(9-14(13)18-2)15-8-4-3-5-12(15)10-16/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyFYUIHBJIXMIYKW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.06
Rot. Bonds4

About [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol

[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol (PubChem CID 117028012) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol
PubChem CID117028012
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol
SMILESCOc1ccc(N2CCCCC2CO)cc1OC
InChIInChI=1S/C14H21NO3/c1-17-13-7-6-11(9-14(13)18-2)15-8-4-3-5-12(15)10-16/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyFYUIHBJIXMIYKW-UHFFFAOYSA-N
XLogP2.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol
CID 68535089
3-[3-[2-chloro-5-[2-(hydroxymethyl)piperidin-1-yl]phenyl]-4-methoxyphenyl]propan-1-ol
CID 123595312
2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 141157601
[1-(3-ethoxy-4-nitrophenyl)azepan-2-yl]methanol
CID 116636995
[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 80731616
2-bromo-N'-hydroxy-4-[2-(hydroxymethyl)azepan-1-yl]benzenecarboximidamide
CID 107278824
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 43421310
2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol
CID 70094262
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 62134031
2-amino-5-[2-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 68541631

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol (CID 117028012) is [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol is COc1ccc(N2CCCCC2CO)cc1OC.
What is the InChIKey of [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol?
The InChIKey is FYUIHBJIXMIYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-7-6-11(9-14(13)18-2)15-8-4-3-5-12(15)10-16/h6-7,9,12,16H,3-5,8,10H2,1-2H3.
What are the key properties of [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol?
[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol is sourced from PubChem (CID 117028012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).