[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C15H23N3O2 — CID 114677517

IUPAC[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N(C)C)c(N)c2)CCC1O
InChIInChI=1S/C15H23N3O2/c1-10-9-18(7-6-14(10)19)15(20)11-4-5-13(17(2)3)12(16)8-11/h4-5,8,10,14,19H,6-7,9,16H2,1-3H3
InChIKeyWMVVELVGOVSPDA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds2

About [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone

[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114677517) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114677517
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N(C)C)c(N)c2)CCC1O
InChIInChI=1S/C15H23N3O2/c1-10-9-18(7-6-14(10)19)15(20)11-4-5-13(17(2)3)12(16)8-11/h4-5,8,10,14,19H,6-7,9,16H2,1-3H3
InChIKeyWMVVELVGOVSPDA-UHFFFAOYSA-N
XLogP1.18
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 61222522
[3-amino-4-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 55131345
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 61092413
[3-amino-4-(dimethylamino)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957657
1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
CID 61089682
(4-hydroxy-3-methylpiperidin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 114679797
[3-amino-4-(dimethylamino)phenyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210938
[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone
CID 110488299
[3-amino-4-(dimethylamino)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 61094890
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 114678581
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 114678333

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114677517) is [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2ccc(N(C)C)c(N)c2)CCC1O.
What is the InChIKey of [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is WMVVELVGOVSPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-9-18(7-6-14(10)19)15(20)11-4-5-13(17(2)3)12(16)8-11/h4-5,8,10,14,19H,6-7,9,16H2,1-3H3.
What are the key properties of [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114677517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).