[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone

C17H27N3O — CID 91683055

IUPAC[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN(CC)c1ccc(N)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H27N3O/c1-4-19(5-2)16-7-6-14(18)12-15(16)17(21)20-10-8-13(3)9-11-20/h6-7,12-13H,4-5,8-11,18H2,1-3H3
InChIKeyYMNCTNPSWBESEC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds4

About [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone

[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 91683055) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID91683055
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN(CC)c1ccc(N)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H27N3O/c1-4-19(5-2)16-7-6-14(18)12-15(16)17(21)20-10-8-13(3)9-11-20/h6-7,12-13H,4-5,8-11,18H2,1-3H3
InChIKeyYMNCTNPSWBESEC-UHFFFAOYSA-N
XLogP2.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-amino-2-(dipropylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683046
[5-amino-2-(dipropylamino)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 100805150
[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 91683050
[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
CID 91683043
(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 170995559
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165923
[5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91683039
[5-amino-2-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916446
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
(5-amino-2-methylphenyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 120642745

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 91683055) is [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone is CCN(CC)c1ccc(N)cc1C(=O)N1CCC(C)CC1.
What is the InChIKey of [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is YMNCTNPSWBESEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19(5-2)16-7-6-14(18)12-15(16)17(21)20-10-8-13(3)9-11-20/h6-7,12-13H,4-5,8-11,18H2,1-3H3.
What are the key properties of [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone?
[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91683055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).