[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone

C14H21N3O — CID 61091481

IUPAC[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
SMILESCN(C)c1ccc(N)cc1C(=O)N1CCCCC1
InChIInChI=1S/C14H21N3O/c1-16(2)13-7-6-11(15)10-12(13)14(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeyYMICOMJSQARNDZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds2

About [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone

[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone (PubChem CID 61091481) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
PubChem CID61091481
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
SMILESCN(C)c1ccc(N)cc1C(=O)N1CCCCC1
InChIInChI=1S/C14H21N3O/c1-16(2)13-7-6-11(15)10-12(13)14(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeyYMICOMJSQARNDZ-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
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-(dimethylamino)phenyl]-morpholin-4-ylmethanone
CID 16639867
[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
CID 91683043
[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 91683050
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165923
[5-amino-2-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916446
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
CID 102538189
[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone (CID 61091481) is [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone is CN(C)c1ccc(N)cc1C(=O)N1CCCCC1.
What is the InChIKey of [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone?
The InChIKey is YMICOMJSQARNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)13-7-6-11(15)10-12(13)14(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,15H2,1-2H3.
What are the key properties of [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone?
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 61091481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).