3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine

C17H28N2O2 — CID 69344181

IUPAC3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine
SMILESCCCCC1CNCCC1Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-13-12-18-10-9-15(13)19-14-7-8-16(20-2)17(11-14)21-3/h7-8,11,13,15,18-19H,4-6,9-10,12H2,1-3H3
InChIKeyNAULMUKLXNGGBF-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.28
Rot. Bonds7

About 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine

3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine (PubChem CID 69344181) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine
PubChem CID69344181
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine
SMILESCCCCC1CNCCC1Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-13-12-18-10-9-15(13)19-14-7-8-16(20-2)17(11-14)21-3/h7-8,11,13,15,18-19H,4-6,9-10,12H2,1-3H3
InChIKeyNAULMUKLXNGGBF-UHFFFAOYSA-N
XLogP3.28
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine?
The IUPAC name of 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine (CID 69344181) is 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine?
The canonical SMILES for 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine is CCCCC1CNCCC1Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine?
The InChIKey is NAULMUKLXNGGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-6-13-12-18-10-9-15(13)19-14-7-8-16(20-2)17(11-14)21-3/h7-8,11,13,15,18-19H,4-6,9-10,12H2,1-3H3.
What are the key properties of 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine?
3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine has a molecular weight of 292.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 69344181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).