(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone

C15H22N2O — CID 119945515

IUPAC(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCCN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2O/c1-3-15(2)9-6-10-17(11-15)14(18)12-7-4-5-8-13(12)16/h4-5,7-8H,3,6,9-11,16H2,1-2H3
InChIKeyOCTYFGDRJZXTAZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.92
Rot. Bonds2

About (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone

(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone (PubChem CID 119945515) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
PubChem CID119945515
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCCN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2O/c1-3-15(2)9-6-10-17(11-15)14(18)12-7-4-5-8-13(12)16/h4-5,7-8H,3,6,9-11,16H2,1-2H3
InChIKeyOCTYFGDRJZXTAZ-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.92
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-[2-(3-ethyl-3-methylpiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 120692028
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 119951631
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119789061
(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210754
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
(3-amino-2-chlorophenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 112576059
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 130762944
2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride
CID 119945728
(4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 63161864

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone (CID 119945515) is (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone is CCC1(C)CCCN(C(=O)c2ccccc2N)C1.
What is the InChIKey of (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone?
The InChIKey is OCTYFGDRJZXTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(2)9-6-10-17(11-15)14(18)12-7-4-5-8-13(12)16/h4-5,7-8H,3,6,9-11,16H2,1-2H3.
What are the key properties of (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone?
(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 119945515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).