1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine

C17H28N2O — CID 139409848

IUPAC1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCOc1cc(C(C)C)ccc1N1CCC(N(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)14-6-7-16(17(12-14)20-5)19-10-8-15(9-11-19)18(3)4/h6-7,12-13,15H,8-11H2,1-5H3
InChIKeyRZOZLFTZJMUESC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine

1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 139409848) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID139409848
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCOc1cc(C(C)C)ccc1N1CCC(N(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)14-6-7-16(17(12-14)20-5)19-10-8-15(9-11-19)18(3)4/h6-7,12-13,15H,8-11H2,1-5H3
InChIKeyRZOZLFTZJMUESC-UHFFFAOYSA-N
XLogP3.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine (CID 139409848) is 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine is COc1cc(C(C)C)ccc1N1CCC(N(C)C)CC1.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is RZOZLFTZJMUESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)14-6-7-16(17(12-14)20-5)19-10-8-15(9-11-19)18(3)4/h6-7,12-13,15H,8-11H2,1-5H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine?
1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 139409848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).