4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol

C14H21NO4 — CID 81042741

IUPAC4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol
SMILESCOc1cc(OC)cc(OCC2(O)CCNCC2)c1
InChIInChI=1S/C14H21NO4/c1-17-11-7-12(18-2)9-13(8-11)19-10-14(16)3-5-15-6-4-14/h7-9,15-16H,3-6,10H2,1-2H3
InChIKeyLSTCXFUPVGIDIA-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.20
Rot. Bonds5

About 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol

4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol (PubChem CID 81042741) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol
PubChem CID81042741
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol
SMILESCOc1cc(OC)cc(OCC2(O)CCNCC2)c1
InChIInChI=1S/C14H21NO4/c1-17-11-7-12(18-2)9-13(8-11)19-10-14(16)3-5-15-6-4-14/h7-9,15-16H,3-6,10H2,1-2H3
InChIKeyLSTCXFUPVGIDIA-UHFFFAOYSA-N
XLogP1.20
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol
CID 104707744
4-[(3-ethylphenoxy)methyl]piperidin-4-ol
CID 81043219
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile
CID 114016295
4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol
CID 114608497
4-(pyridin-3-yloxymethyl)piperidin-4-ol
CID 112703881
ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280
4-[(3-bromo-5-nitrophenoxy)methyl]piperidin-4-ol
CID 103588693
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692
N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene
CID 65001653

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol (CID 81042741) is 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol is COc1cc(OC)cc(OCC2(O)CCNCC2)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol?
The InChIKey is LSTCXFUPVGIDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-11-7-12(18-2)9-13(8-11)19-10-14(16)3-5-15-6-4-14/h7-9,15-16H,3-6,10H2,1-2H3.
What are the key properties of 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol?
4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol has a molecular weight of 267.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol is sourced from PubChem (CID 81042741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).