(3-aminophenyl)-piperidin-1-ylmethanone

C12H16N2O — CID 609056

IUPAC(3-aminophenyl)-piperidin-1-ylmethanone
SMILESNc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C12H16N2O/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,13H2
InChIKeyAITMOJIGHBMWDB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds1

About (3-aminophenyl)-piperidin-1-ylmethanone

(3-aminophenyl)-piperidin-1-ylmethanone (PubChem CID 609056) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3-aminophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-aminophenyl)-piperidin-1-ylmethanone
PubChem CID609056
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3-aminophenyl)-piperidin-1-ylmethanone
SMILESNc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C12H16N2O/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,13H2
InChIKeyAITMOJIGHBMWDB-UHFFFAOYSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.89
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-aminophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-aminophenyl)-piperidin-1-ylmethanone (CID 609056) is (3-aminophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-aminophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-aminophenyl)-piperidin-1-ylmethanone is Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of (3-aminophenyl)-piperidin-1-ylmethanone?
The InChIKey is AITMOJIGHBMWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,13H2.
What are the key properties of (3-aminophenyl)-piperidin-1-ylmethanone?
(3-aminophenyl)-piperidin-1-ylmethanone has a molecular weight of 204.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 609056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).