(2-aminophenyl)-piperidin-1-ylmethanone

C12H16N2O — CID 558730

IUPAC(2-aminophenyl)-piperidin-1-ylmethanone
SMILESNc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C12H16N2O/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9,13H2
InChIKeyYJTQPHOSNYIGPC-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds1

About (2-aminophenyl)-piperidin-1-ylmethanone

(2-aminophenyl)-piperidin-1-ylmethanone (PubChem CID 558730) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-aminophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-aminophenyl)-piperidin-1-ylmethanone
PubChem CID558730
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2-aminophenyl)-piperidin-1-ylmethanone
SMILESNc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C12H16N2O/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9,13H2
InChIKeyYJTQPHOSNYIGPC-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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Related Compounds

(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
2-aminobenzamide;piperidine-1-carboxylic acid
CID 174784714
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-(piperidine-1-carbonyl)phenolate
CID 101121314
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-aminophenyl)-piperidin-1-ylmethanone (CID 558730) is (2-aminophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-aminophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-aminophenyl)-piperidin-1-ylmethanone is Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of (2-aminophenyl)-piperidin-1-ylmethanone?
The InChIKey is YJTQPHOSNYIGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9,13H2.
What are the key properties of (2-aminophenyl)-piperidin-1-ylmethanone?
(2-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 (2-aminophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 558730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).