1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol

C13H20N2O2 — CID 43575244

IUPAC1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
SMILESNc1cccc(OCCN2CCCC(O)C2)c1
InChIInChI=1S/C13H20N2O2/c14-11-3-1-5-13(9-11)17-8-7-15-6-2-4-12(16)10-15/h1,3,5,9,12,16H,2,4,6-8,10,14H2
InChIKeyJULPCERUAVMPHS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.10
Rot. Bonds4

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

1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol (PubChem CID 43575244) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
PubChem CID43575244
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
SMILESNc1cccc(OCCN2CCCC(O)C2)c1
InChIInChI=1S/C13H20N2O2/c14-11-3-1-5-13(9-11)17-8-7-15-6-2-4-12(16)10-15/h1,3,5,9,12,16H,2,4,6-8,10,14H2
InChIKeyJULPCERUAVMPHS-UHFFFAOYSA-N
XLogP1.10
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.10
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-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 61434873
3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
CID 54985182
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid
CID 61403557
3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
CID 79677306
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol?
The IUPAC name of 1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol (CID 43575244) is 1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol is Nc1cccc(OCCN2CCCC(O)C2)c1.
What is the InChIKey of 1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol?
The InChIKey is JULPCERUAVMPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-11-3-1-5-13(9-11)17-8-7-15-6-2-4-12(16)10-15/h1,3,5,9,12,16H,2,4,6-8,10,14H2.
What are the key properties of 1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol?
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol has a molecular weight of 236.31 g/mol, XLogP of 1.10, 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]piperidin-3-ol is sourced from PubChem (CID 43575244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).