(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone

C17H26N2O — CID 62091781

IUPAC(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C(C)(C)C)CC2)cc1N
InChIInChI=1S/C17H26N2O/c1-12-5-6-13(11-15(12)18)16(20)19-9-7-14(8-10-19)17(2,3)4/h5-6,11,14H,7-10,18H2,1-4H3
InChIKeyOTDXUFYYMZWKPA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.48
Rot. Bonds1

About (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone

(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone (PubChem CID 62091781) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
PubChem CID62091781
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C(C)(C)C)CC2)cc1N
InChIInChI=1S/C17H26N2O/c1-12-5-6-13(11-15(12)18)16(20)19-9-7-14(8-10-19)17(2,3)4/h5-6,11,14H,7-10,18H2,1-4H3
InChIKeyOTDXUFYYMZWKPA-UHFFFAOYSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998831
(3-amino-4-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54976973
(4-tert-butylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628553
(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110909517
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
1-(3-amino-4-methylbenzoyl)azetidine-3-carboxylic acid
CID 79311485
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091780

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone (CID 62091781) is (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(C(C)(C)C)CC2)cc1N.
What is the InChIKey of (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
The InChIKey is OTDXUFYYMZWKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-5-6-13(11-15(12)18)16(20)19-9-7-14(8-10-19)17(2,3)4/h5-6,11,14H,7-10,18H2,1-4H3.
What are the key properties of (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone?
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone is sourced from PubChem (CID 62091781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).