1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol

C17H28N2O2 — CID 62199243

IUPAC1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(O)COc2ccccc2N)CC1
InChIInChI=1S/C17H28N2O2/c1-2-5-14-8-10-19(11-9-14)12-15(20)13-21-17-7-4-3-6-16(17)18/h3-4,6-7,14-15,20H,2,5,8-13,18H2,1H3
InChIKeyMKVZOIKAFRNZHT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.52
Rot. Bonds7

About 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol

1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol (PubChem CID 62199243) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol
PubChem CID62199243
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(O)COc2ccccc2N)CC1
InChIInChI=1S/C17H28N2O2/c1-2-5-14-8-10-19(11-9-14)12-15(20)13-21-17-7-4-3-6-16(17)18/h3-4,6-7,14-15,20H,2,5,8-13,18H2,1H3
InChIKeyMKVZOIKAFRNZHT-UHFFFAOYSA-N
XLogP2.52
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.52
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-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43173893
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
1-(2-aminophenoxy)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43364486
1-(2-aminophenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
CID 3049135
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol
CID 102777704
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol (CID 62199243) is 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol is CCCC1CCN(CC(O)COc2ccccc2N)CC1.
What is the InChIKey of 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol?
The InChIKey is MKVZOIKAFRNZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-5-14-8-10-19(11-9-14)12-15(20)13-21-17-7-4-3-6-16(17)18/h3-4,6-7,14-15,20H,2,5,8-13,18H2,1H3.
What are the key properties of 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol?
1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 62199243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).