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

C14H21N3O2 — CID 61092413

IUPAC[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(O)CC2)cc1N
InChIInChI=1S/C14H21N3O2/c1-16(2)13-4-3-10(9-12(13)15)14(19)17-7-5-11(18)6-8-17/h3-4,9,11,18H,5-8,15H2,1-2H3
InChIKeyYBIUBZLAXOAFER-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds2

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

[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 61092413) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID61092413
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(O)CC2)cc1N
InChIInChI=1S/C14H21N3O2/c1-16(2)13-4-3-10(9-12(13)15)14(19)17-7-5-11(18)6-8-17/h3-4,9,11,18H,5-8,15H2,1-2H3
InChIKeyYBIUBZLAXOAFER-UHFFFAOYSA-N
XLogP0.93
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-4-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 55131345
1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
CID 61089682
[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 61222522
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677517
[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone
CID 110488299
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
[3-amino-4-(dimethylamino)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 61094890
[3-amino-4-(dimethylamino)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957657
[3-amino-4-(dimethylamino)phenyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210938
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
[5-amino-2-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916446
[3-amino-4-(dimethylamino)phenyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390317

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 61092413) is [3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone is CN(C)c1ccc(C(=O)N2CCC(O)CC2)cc1N.
What is the InChIKey of [3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is YBIUBZLAXOAFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)13-4-3-10(9-12(13)15)14(19)17-7-5-11(18)6-8-17/h3-4,9,11,18H,5-8,15H2,1-2H3.
What are the key properties of [3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.93, 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-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 61092413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).