4-butoxy-3-(piperidin-1-ylmethyl)aniline

C16H26N2O — CID 154231160

IUPAC4-butoxy-3-(piperidin-1-ylmethyl)aniline
SMILESCCCCOc1ccc(N)cc1CN1CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-3-11-19-16-8-7-15(17)12-14(16)13-18-9-5-4-6-10-18/h7-8,12H,2-6,9-11,13,17H2,1H3
InChIKeyVCIAXYSGHGWPIZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.43
Rot. Bonds6

About 4-butoxy-3-(piperidin-1-ylmethyl)aniline

4-butoxy-3-(piperidin-1-ylmethyl)aniline (PubChem CID 154231160) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-butoxy-3-(piperidin-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-butoxy-3-(piperidin-1-ylmethyl)aniline
PubChem CID154231160
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-butoxy-3-(piperidin-1-ylmethyl)aniline
SMILESCCCCOc1ccc(N)cc1CN1CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-3-11-19-16-8-7-15(17)12-14(16)13-18-9-5-4-6-10-18/h7-8,12H,2-6,9-11,13,17H2,1H3
InChIKeyVCIAXYSGHGWPIZ-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-butoxy-3-(piperidin-1-ylmethyl)aniline?
The IUPAC name of 4-butoxy-3-(piperidin-1-ylmethyl)aniline (CID 154231160) is 4-butoxy-3-(piperidin-1-ylmethyl)aniline.
What is the SMILES notation for 4-butoxy-3-(piperidin-1-ylmethyl)aniline?
The canonical SMILES for 4-butoxy-3-(piperidin-1-ylmethyl)aniline is CCCCOc1ccc(N)cc1CN1CCCCC1.
What is the InChIKey of 4-butoxy-3-(piperidin-1-ylmethyl)aniline?
The InChIKey is VCIAXYSGHGWPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-11-19-16-8-7-15(17)12-14(16)13-18-9-5-4-6-10-18/h7-8,12H,2-6,9-11,13,17H2,1H3.
What are the key properties of 4-butoxy-3-(piperidin-1-ylmethyl)aniline?
4-butoxy-3-(piperidin-1-ylmethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-(piperidin-1-ylmethyl)aniline is sourced from PubChem (CID 154231160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).