(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

C14H20N2O — CID 62937023

IUPAC(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C14H20N2O/c1-14(2)7-9-16(10-8-14)13(17)11-5-3-4-6-12(11)15/h3-6H,7-10,15H2,1-2H3
InChIKeyFKVZDKWNZQGYQL-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.53
Rot. Bonds1

About (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 62937023) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID62937023
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C14H20N2O/c1-14(2)7-9-16(10-8-14)13(17)11-5-3-4-6-12(11)15/h3-6H,7-10,15H2,1-2H3
InChIKeyFKVZDKWNZQGYQL-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.53
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

(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103853932
(2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62930359
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 63658810
(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 851820
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
CID 119945515
(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103639314
[2-(2-aminoethyl)phenyl]-(4,4-dimethylazepan-1-yl)methanone
CID 65280889

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 62937023) is (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)c2ccccc2N)CC1.
What is the InChIKey of (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is FKVZDKWNZQGYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)7-9-16(10-8-14)13(17)11-5-3-4-6-12(11)15/h3-6H,7-10,15H2,1-2H3.
What are the key properties of (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62937023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).