(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone

C15H22N2O2 — CID 81091094

IUPAC(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(N)cc(C(=O)N2CCC(C)(C)CC2)c1
InChIInChI=1S/C15H22N2O2/c1-15(2)4-6-17(7-5-15)14(18)11-8-12(16)10-13(9-11)19-3/h8-10H,4-7,16H2,1-3H3
InChIKeyWEVCSIYIVONNED-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds2

About (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone

(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 81091094) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID81091094
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(N)cc(C(=O)N2CCC(C)(C)CC2)c1
InChIInChI=1S/C15H22N2O2/c1-15(2)4-6-17(7-5-15)14(18)11-8-12(16)10-13(9-11)19-3/h8-10H,4-7,16H2,1-3H3
InChIKeyWEVCSIYIVONNED-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-5-ethoxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 81094273
(3-amino-5-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 81090979
(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092592
(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81093481
(3-amino-5-methoxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210906
(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 82833580
3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide
CID 78985061
(3-amino-5-methoxyphenyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489257
[4-(3,5-diaminobenzoyl)piperazin-1-yl]-(3,5-diaminophenyl)methanone
CID 58291381
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719
methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate
CID 81094450
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 81091094) is (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone is COc1cc(N)cc(C(=O)N2CCC(C)(C)CC2)c1.
What is the InChIKey of (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is WEVCSIYIVONNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)4-6-17(7-5-15)14(18)11-8-12(16)10-13(9-11)19-3/h8-10H,4-7,16H2,1-3H3.
What are the key properties of (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 81091094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).