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

C16H25N3O2 — CID 61439939

IUPAC1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
SMILESNc1cccc(OCC(O)CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H25N3O2/c17-13-2-1-3-16(10-13)21-12-15(20)11-18-6-8-19(9-7-18)14-4-5-14/h1-3,10,14-15,20H,4-9,11-12,17H2
InChIKeyVDRBHLKJOONWHI-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.79
Rot. Bonds6

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

1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol (PubChem CID 61439939) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
PubChem CID61439939
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
SMILESNc1cccc(OCC(O)CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H25N3O2/c17-13-2-1-3-16(10-13)21-12-15(20)11-18-6-8-19(9-7-18)14-4-5-14/h1-3,10,14-15,20H,4-9,11-12,17H2
InChIKeyVDRBHLKJOONWHI-UHFFFAOYSA-N
XLogP0.79
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364468
1-(3-aminophenoxy)-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43364555
1-(3-aminophenoxy)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 43364505
1-(3-aminophenoxy)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 43581117
1-[3-(3-aminophenoxy)-2-hydroxypropyl]pyrrolidine-3,4-diol
CID 106667883
1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61223978
1-(3-aminophenoxy)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 65283726
1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 114797133
(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7155116
1-(3-aminophenoxy)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63603134
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol (CID 61439939) is 1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol is Nc1cccc(OCC(O)CN2CCN(C3CC3)CC2)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol?
The InChIKey is VDRBHLKJOONWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-13-2-1-3-16(10-13)21-12-15(20)11-18-6-8-19(9-7-18)14-4-5-14/h1-3,10,14-15,20H,4-9,11-12,17H2.
What are the key properties of 1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol?
1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol has a molecular weight of 291.39 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 61439939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).