3-[3-(4-methylpiperidin-1-yl)propyl]aniline

C15H24N2 — CID 28721152

IUPAC3-[3-(4-methylpiperidin-1-yl)propyl]aniline
SMILESCC1CCN(CCCc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N2/c1-13-7-10-17(11-8-13)9-3-5-14-4-2-6-15(16)12-14/h2,4,6,12-13H,3,5,7-11,16H2,1H3
InChIKeyMGTUWARPQHROFZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.93
Rot. Bonds4

About 3-[3-(4-methylpiperidin-1-yl)propyl]aniline

3-[3-(4-methylpiperidin-1-yl)propyl]aniline (PubChem CID 28721152) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[3-(4-methylpiperidin-1-yl)propyl]aniline.

Molecular Properties

Compound Name3-[3-(4-methylpiperidin-1-yl)propyl]aniline
PubChem CID28721152
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[3-(4-methylpiperidin-1-yl)propyl]aniline
SMILESCC1CCN(CCCc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N2/c1-13-7-10-17(11-8-13)9-3-5-14-4-2-6-15(16)12-14/h2,4,6,12-13H,3,5,7-11,16H2,1H3
InChIKeyMGTUWARPQHROFZ-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(4-methylpiperidin-1-yl)propyl]aniline?
The IUPAC name of 3-[3-(4-methylpiperidin-1-yl)propyl]aniline (CID 28721152) is 3-[3-(4-methylpiperidin-1-yl)propyl]aniline.
What is the SMILES notation for 3-[3-(4-methylpiperidin-1-yl)propyl]aniline?
The canonical SMILES for 3-[3-(4-methylpiperidin-1-yl)propyl]aniline is CC1CCN(CCCc2cccc(N)c2)CC1.
What is the InChIKey of 3-[3-(4-methylpiperidin-1-yl)propyl]aniline?
The InChIKey is MGTUWARPQHROFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-7-10-17(11-8-13)9-3-5-14-4-2-6-15(16)12-14/h2,4,6,12-13H,3,5,7-11,16H2,1H3.
What are the key properties of 3-[3-(4-methylpiperidin-1-yl)propyl]aniline?
3-[3-(4-methylpiperidin-1-yl)propyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperidin-1-yl)propyl]aniline is sourced from PubChem (CID 28721152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).