3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline

C16H26N2O — CID 103505085

IUPAC3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline
SMILESCCOc1cc(N)cc(N2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-4-19-16-10-14(17)9-15(11-16)18-7-5-13(6-8-18)12(2)3/h9-13H,4-8,17H2,1-3H3
InChIKeyFCUWULVAOVCBMT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds4

About 3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline

3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline (PubChem CID 103505085) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline
PubChem CID103505085
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline
SMILESCCOc1cc(N)cc(N2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-4-19-16-10-14(17)9-15(11-16)18-7-5-13(6-8-18)12(2)3/h9-13H,4-8,17H2,1-3H3
InChIKeyFCUWULVAOVCBMT-UHFFFAOYSA-N
XLogP3.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline?
The IUPAC name of 3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline (CID 103505085) is 3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline.
What is the SMILES notation for 3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline?
The canonical SMILES for 3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline is CCOc1cc(N)cc(N2CCC(C(C)C)CC2)c1.
What is the InChIKey of 3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline?
The InChIKey is FCUWULVAOVCBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-16-10-14(17)9-15(11-16)18-7-5-13(6-8-18)12(2)3/h9-13H,4-8,17H2,1-3H3.
What are the key properties of 3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline?
3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline is sourced from PubChem (CID 103505085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).