1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine

C15H27N3O — CID 163526631

IUPAC1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
SMILESCOC1=CC(C)(N2CCC(N(C)C)CC2)CC=C1N
InChIInChI=1S/C15H27N3O/c1-15(8-5-13(16)14(11-15)19-4)18-9-6-12(7-10-18)17(2)3/h5,11-12H,6-10,16H2,1-4H3
InChIKeyDPIILFWAFVGIMD-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.55
Rot. Bonds3

About 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine

1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 163526631) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID163526631
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
SMILESCOC1=CC(C)(N2CCC(N(C)C)CC2)CC=C1N
InChIInChI=1S/C15H27N3O/c1-15(8-5-13(16)14(11-15)19-4)18-9-6-12(7-10-18)17(2)3/h5,11-12H,6-10,16H2,1-4H3
InChIKeyDPIILFWAFVGIMD-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine (CID 163526631) is 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine is COC1=CC(C)(N2CCC(N(C)C)CC2)CC=C1N.
What is the InChIKey of 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is DPIILFWAFVGIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(8-5-13(16)14(11-15)19-4)18-9-6-12(7-10-18)17(2)3/h5,11-12H,6-10,16H2,1-4H3.
What are the key properties of 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine?
1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 163526631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).