2-[1-(1-methylpiperidin-2-yl)propyl]aniline

C15H24N2 — CID 20560084

IUPAC2-[1-(1-methylpiperidin-2-yl)propyl]aniline
SMILESCCC(c1ccccc1N)C1CCCCN1C
InChIInChI=1S/C15H24N2/c1-3-12(13-8-4-5-9-14(13)16)15-10-6-7-11-17(15)2/h4-5,8-9,12,15H,3,6-7,10-11,16H2,1-2H3
InChIKeyFSCXLBHKIUSZKC-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.25
Rot. Bonds3

About 2-[1-(1-methylpiperidin-2-yl)propyl]aniline

2-[1-(1-methylpiperidin-2-yl)propyl]aniline (PubChem CID 20560084) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-2-yl)propyl]aniline.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-2-yl)propyl]aniline
PubChem CID20560084
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[1-(1-methylpiperidin-2-yl)propyl]aniline
SMILESCCC(c1ccccc1N)C1CCCCN1C
InChIInChI=1S/C15H24N2/c1-3-12(13-8-4-5-9-14(13)16)15-10-6-7-11-17(15)2/h4-5,8-9,12,15H,3,6-7,10-11,16H2,1-2H3
InChIKeyFSCXLBHKIUSZKC-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.25
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 2-[1-(1-methylpiperidin-2-yl)propyl]aniline?
The IUPAC name of 2-[1-(1-methylpiperidin-2-yl)propyl]aniline (CID 20560084) is 2-[1-(1-methylpiperidin-2-yl)propyl]aniline.
What is the SMILES notation for 2-[1-(1-methylpiperidin-2-yl)propyl]aniline?
The canonical SMILES for 2-[1-(1-methylpiperidin-2-yl)propyl]aniline is CCC(c1ccccc1N)C1CCCCN1C.
What is the InChIKey of 2-[1-(1-methylpiperidin-2-yl)propyl]aniline?
The InChIKey is FSCXLBHKIUSZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-12(13-8-4-5-9-14(13)16)15-10-6-7-11-17(15)2/h4-5,8-9,12,15H,3,6-7,10-11,16H2,1-2H3.
What are the key properties of 2-[1-(1-methylpiperidin-2-yl)propyl]aniline?
2-[1-(1-methylpiperidin-2-yl)propyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-2-yl)propyl]aniline is sourced from PubChem (CID 20560084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).