1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol

C14H22N2O2 — CID 114677878

IUPAC1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCOc2cccc(N)c2)CCC1O
InChIInChI=1S/C14H22N2O2/c1-11-10-16(6-5-14(11)17)7-8-18-13-4-2-3-12(15)9-13/h2-4,9,11,14,17H,5-8,10,15H2,1H3
InChIKeyDVFBFTVKTZDRQF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol

1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol (PubChem CID 114677878) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
PubChem CID114677878
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCOc2cccc(N)c2)CCC1O
InChIInChI=1S/C14H22N2O2/c1-11-10-16(6-5-14(11)17)7-8-18-13-4-2-3-12(15)9-13/h2-4,9,11,14,17H,5-8,10,15H2,1H3
InChIKeyDVFBFTVKTZDRQF-UHFFFAOYSA-N
XLogP1.35
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
CID 54985182
2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114677451
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
CID 79677306
1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681512
1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681284
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 119039460

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol (CID 114677878) is 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol is CC1CN(CCOc2cccc(N)c2)CCC1O.
What is the InChIKey of 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol?
The InChIKey is DVFBFTVKTZDRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-10-16(6-5-14(11)17)7-8-18-13-4-2-3-12(15)9-13/h2-4,9,11,14,17H,5-8,10,15H2,1H3.
What are the key properties of 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol?
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol has a molecular weight of 250.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).