1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine

C15H24N2O — CID 142939395

IUPAC1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(C2=CCC(C)=C(OC)C=C2)CC1
InChIInChI=1S/C15H24N2O/c1-12-4-5-14(6-7-15(12)18-3)17-10-8-13(16-2)9-11-17/h5-7,13,16H,4,8-11H2,1-3H3
InChIKeyPEVPSXGPVPPWRY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.43
Rot. Bonds3

About 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine

1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine (PubChem CID 142939395) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine
PubChem CID142939395
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(C2=CCC(C)=C(OC)C=C2)CC1
InChIInChI=1S/C15H24N2O/c1-12-4-5-14(6-7-15(12)18-3)17-10-8-13(16-2)9-11-17/h5-7,13,16H,4,8-11H2,1-3H3
InChIKeyPEVPSXGPVPPWRY-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine (CID 142939395) is 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine is CNC1CCN(C2=CCC(C)=C(OC)C=C2)CC1.
What is the InChIKey of 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine?
The InChIKey is PEVPSXGPVPPWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-4-5-14(6-7-15(12)18-3)17-10-8-13(16-2)9-11-17/h5-7,13,16H,4,8-11H2,1-3H3.
What are the key properties of 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine?
1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 142939395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).