1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine

C14H22N2O — CID 117024391

IUPAC1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
SMILESCOc1ccc(N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-14(2)10-16(9-8-13(14)15)11-4-6-12(17-3)7-5-11/h4-7,13H,8-10,15H2,1-3H3
InChIKeySHJULEHQGNKJCW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.26
Rot. Bonds2

About 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine

1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine (PubChem CID 117024391) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
PubChem CID117024391
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
SMILESCOc1ccc(N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-14(2)10-16(9-8-13(14)15)11-4-6-12(17-3)7-5-11/h4-7,13H,8-10,15H2,1-3H3
InChIKeySHJULEHQGNKJCW-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024762
1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 57363410
1-(3,5-dimethylphenyl)-3,3-dimethylpiperidin-4-amine
CID 117024361
[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024891
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
1-[2-(4-methoxyphenyl)propyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781971
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847195
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 120819229
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774978
1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol
CID 117024245
[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024877

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine (CID 117024391) is 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine is COc1ccc(N2CCC(N)C(C)(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine?
The InChIKey is SHJULEHQGNKJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)10-16(9-8-13(14)15)11-4-6-12(17-3)7-5-11/h4-7,13H,8-10,15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine?
1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine has a molecular weight of 234.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 117024391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).