2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine

C15H23N3O — CID 140755439

IUPAC2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine
SMILESNc1cccc(N)c1C1CCN(C2CCOC2)CC1
InChIInChI=1S/C15H23N3O/c16-13-2-1-3-14(17)15(13)11-4-7-18(8-5-11)12-6-9-19-10-12/h1-3,11-12H,4-10,16-17H2
InChIKeyFTXGVCFINPEYJF-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.82
Rot. Bonds2

About 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine

2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine (PubChem CID 140755439) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine
PubChem CID140755439
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine
SMILESNc1cccc(N)c1C1CCN(C2CCOC2)CC1
InChIInChI=1S/C15H23N3O/c16-13-2-1-3-14(17)15(13)11-4-7-18(8-5-11)12-6-9-19-10-12/h1-3,11-12H,4-10,16-17H2
InChIKeyFTXGVCFINPEYJF-UHFFFAOYSA-N
XLogP1.82
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine?
The IUPAC name of 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine (CID 140755439) is 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine.
What is the SMILES notation for 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine?
The canonical SMILES for 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine is Nc1cccc(N)c1C1CCN(C2CCOC2)CC1.
What is the InChIKey of 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine?
The InChIKey is FTXGVCFINPEYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-13-2-1-3-14(17)15(13)11-4-7-18(8-5-11)12-6-9-19-10-12/h1-3,11-12H,4-10,16-17H2.
What are the key properties of 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine?
2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-3-yl)piperidin-4-yl]benzene-1,3-diamine is sourced from PubChem (CID 140755439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).