3-(piperidin-1-ylmethyl)aniline

C12H18N2 — CID 6484331

IUPAC3-(piperidin-1-ylmethyl)aniline
SMILESNc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C12H18N2/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
InChIKeySEJNYLBEEMVJNN-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.25
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)aniline

3-(piperidin-1-ylmethyl)aniline (PubChem CID 6484331) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)aniline.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)aniline
PubChem CID6484331
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-(piperidin-1-ylmethyl)aniline
SMILESNc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C12H18N2/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
InChIKeySEJNYLBEEMVJNN-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.25
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 3-(piperidin-1-ylmethyl)aniline?
The IUPAC name of 3-(piperidin-1-ylmethyl)aniline (CID 6484331) is 3-(piperidin-1-ylmethyl)aniline.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)aniline?
The canonical SMILES for 3-(piperidin-1-ylmethyl)aniline is Nc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)aniline?
The InChIKey is SEJNYLBEEMVJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2.
What are the key properties of 3-(piperidin-1-ylmethyl)aniline?
3-(piperidin-1-ylmethyl)aniline has a molecular weight of 190.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)aniline is sourced from PubChem (CID 6484331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).