3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline

C16H25N3O — CID 80727202

IUPAC3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H25N3O/c1-2-9-20-16-11-13(17)10-15(12-16)19-7-5-18(6-8-19)14-3-4-14/h10-12,14H,2-9,17H2,1H3
InChIKeyMPIPWIZRHLGDFO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.34
Rot. Bonds5

About 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline

3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline (PubChem CID 80727202) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline
PubChem CID80727202
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(N2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H25N3O/c1-2-9-20-16-11-13(17)10-15(12-16)19-7-5-18(6-8-19)14-3-4-14/h10-12,14H,2-9,17H2,1H3
InChIKeyMPIPWIZRHLGDFO-UHFFFAOYSA-N
XLogP2.34
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
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 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline (CID 80727202) is 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline is CCCOc1cc(N)cc(N2CCN(C3CC3)CC2)c1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline?
The InChIKey is MPIPWIZRHLGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-9-20-16-11-13(17)10-15(12-16)19-7-5-18(6-8-19)14-3-4-14/h10-12,14H,2-9,17H2,1H3.
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline?
3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline has a molecular weight of 275.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline is sourced from PubChem (CID 80727202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).