2-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C14H22N2 — CID 115031027

IUPAC2-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(c1ccccc1N)C1CCCN(C)C1
InChIInChI=1S/C14H22N2/c1-11(12-6-5-9-16(2)10-12)13-7-3-4-8-14(13)15/h3-4,7-8,11-12H,5-6,9-10,15H2,1-2H3
InChIKeyXQGAUISTSAKODM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.71
Rot. Bonds2

About 2-[1-(1-methylpiperidin-3-yl)ethyl]aniline

2-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 115031027) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID115031027
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(c1ccccc1N)C1CCCN(C)C1
InChIInChI=1S/C14H22N2/c1-11(12-6-5-9-16(2)10-12)13-7-3-4-8-14(13)15/h3-4,7-8,11-12H,5-6,9-10,15H2,1-2H3
InChIKeyXQGAUISTSAKODM-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.71
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-3-yl)ethyl]aniline?
The IUPAC name of 2-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 115031027) is 2-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 2-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 2-[1-(1-methylpiperidin-3-yl)ethyl]aniline is CC(c1ccccc1N)C1CCCN(C)C1.
What is the InChIKey of 2-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is XQGAUISTSAKODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(12-6-5-9-16(2)10-12)13-7-3-4-8-14(13)15/h3-4,7-8,11-12H,5-6,9-10,15H2,1-2H3.
What are the key properties of 2-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
2-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 115031027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).