3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline

C17H28N2O2 — CID 10756081

IUPAC3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline
SMILESCOc1cc(N)ccc1OCCCCCN1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-20-17-14-15(18)8-9-16(17)21-13-7-3-6-12-19-10-4-2-5-11-19/h8-9,14H,2-7,10-13,18H2,1H3
InChIKeyYUYAUBDMZYECOD-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.31
Rot. Bonds8

About 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline

3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline (PubChem CID 10756081) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline
PubChem CID10756081
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline
SMILESCOc1cc(N)ccc1OCCCCCN1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-20-17-14-15(18)8-9-16(17)21-13-7-3-6-12-19-10-4-2-5-11-19/h8-9,14H,2-7,10-13,18H2,1H3
InChIKeyYUYAUBDMZYECOD-UHFFFAOYSA-N
XLogP3.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline?
The IUPAC name of 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline (CID 10756081) is 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline.
What is the SMILES notation for 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline?
The canonical SMILES for 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline is COc1cc(N)ccc1OCCCCCN1CCCCC1.
What is the InChIKey of 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline?
The InChIKey is YUYAUBDMZYECOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-20-17-14-15(18)8-9-16(17)21-13-7-3-6-12-19-10-4-2-5-11-19/h8-9,14H,2-7,10-13,18H2,1H3.
What are the key properties of 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline?
3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline has a molecular weight of 292.42 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-piperidin-1-ylpentoxy)aniline is sourced from PubChem (CID 10756081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).