(4-aminophenyl)-(4-methylpiperidin-1-yl)methanone

C13H18N2O — CID 1132825

IUPAC(4-aminophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C13H18N2O/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(14)5-3-11/h2-5,10H,6-9,14H2,1H3
InChIKeySOVNVUQEIMQSDL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.14
Rot. Bonds1

About (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone

(4-aminophenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 1132825) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID1132825
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(4-aminophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C13H18N2O/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(14)5-3-11/h2-5,10H,6-9,14H2,1H3
InChIKeySOVNVUQEIMQSDL-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.14
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 (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone (CID 1132825) is (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SOVNVUQEIMQSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(14)5-3-11/h2-5,10H,6-9,14H2,1H3.
What are the key properties of (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone?
(4-aminophenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 1132825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).