(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone

C15H22N2O — CID 62510714

IUPAC(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H22N2O/c1-3-12-6-4-5-9-17(12)15(18)13-10-11(2)7-8-14(13)16/h7-8,10,12H,3-6,9,16H2,1-2H3
InChIKeyNIPDAGDQPYMSTG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.98
Rot. Bonds2

About (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone

(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 62510714) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID62510714
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H22N2O/c1-3-12-6-4-5-9-17(12)15(18)13-10-11(2)7-8-14(13)16/h7-8,10,12H,3-6,9,16H2,1-2H3
InChIKeyNIPDAGDQPYMSTG-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 80658369
[2-(bromomethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 80659376
[2-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112057
(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688589
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83218145
[2-(aminomethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone;hydrochloride
CID 119467434
[2-(2-bromoethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 80665148
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone (CID 62510714) is (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(C)ccc1N.
What is the InChIKey of (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is NIPDAGDQPYMSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-6-4-5-9-17(12)15(18)13-10-11(2)7-8-14(13)16/h7-8,10,12H,3-6,9,16H2,1-2H3.
What are the key properties of (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62510714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).