1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one

C17H23NO2 — CID 146415114

IUPAC1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one
SMILESC=C1C=CC=C(C)C(OC2CCN(C(=O)CC)CC2)=C1
InChIInChI=1S/C17H23NO2/c1-4-17(19)18-10-8-15(9-11-18)20-16-12-13(2)6-5-7-14(16)3/h5-7,12,15H,2,4,8-11H2,1,3H3
InChIKeyBKSDANYMNQFSDY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.36
Rot. Bonds3

About 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one

1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one (PubChem CID 146415114) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one
PubChem CID146415114
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one
SMILESC=C1C=CC=C(C)C(OC2CCN(C(=O)CC)CC2)=C1
InChIInChI=1S/C17H23NO2/c1-4-17(19)18-10-8-15(9-11-18)20-16-12-13(2)6-5-7-14(16)3/h5-7,12,15H,2,4,8-11H2,1,3H3
InChIKeyBKSDANYMNQFSDY-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one (CID 146415114) is 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one is C=C1C=CC=C(C)C(OC2CCN(C(=O)CC)CC2)=C1.
What is the InChIKey of 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one?
The InChIKey is BKSDANYMNQFSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-17(19)18-10-8-15(9-11-18)20-16-12-13(2)6-5-7-14(16)3/h5-7,12,15H,2,4,8-11H2,1,3H3.
What are the key properties of 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one?
1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one has a molecular weight of 273.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-methyl-3-methylidenecyclohepta-1,4,6-trien-1-yl)oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 146415114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).