2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline

C17H28N2O2 — CID 83004888

IUPAC2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline
SMILESCCCOC1CCCN(c2ccc(N)c(OC(C)C)c2)C1
InChIInChI=1S/C17H28N2O2/c1-4-10-20-15-6-5-9-19(12-15)14-7-8-16(18)17(11-14)21-13(2)3/h7-8,11,13,15H,4-6,9-10,12,18H2,1-3H3
InChIKeyMYKKRYXVPLDURO-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.45
Rot. Bonds6

About 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline

2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline (PubChem CID 83004888) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline
PubChem CID83004888
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline
SMILESCCCOC1CCCN(c2ccc(N)c(OC(C)C)c2)C1
InChIInChI=1S/C17H28N2O2/c1-4-10-20-15-6-5-9-19(12-15)14-7-8-16(18)17(11-14)21-13(2)3/h7-8,11,13,15H,4-6,9-10,12,18H2,1-3H3
InChIKeyMYKKRYXVPLDURO-UHFFFAOYSA-N
XLogP3.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.45
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 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline?
The IUPAC name of 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline (CID 83004888) is 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline.
What is the SMILES notation for 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline?
The canonical SMILES for 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline is CCCOC1CCCN(c2ccc(N)c(OC(C)C)c2)C1.
What is the InChIKey of 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline?
The InChIKey is MYKKRYXVPLDURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-10-20-15-6-5-9-19(12-15)14-7-8-16(18)17(11-14)21-13(2)3/h7-8,11,13,15H,4-6,9-10,12,18H2,1-3H3.
What are the key properties of 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline?
2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline has a molecular weight of 292.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline is sourced from PubChem (CID 83004888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).