1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one

C18H27NO — CID 2890228

IUPAC1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-3-7-15(2)18(20)19-12-10-17(11-13-19)14-16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3
InChIKeyMUXGYYQUXLSEMG-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one

1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one (PubChem CID 2890228) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
PubChem CID2890228
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-3-7-15(2)18(20)19-12-10-17(11-13-19)14-16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3
InChIKeyMUXGYYQUXLSEMG-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one (CID 2890228) is 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one is CCCC(C)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one?
The InChIKey is MUXGYYQUXLSEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-7-15(2)18(20)19-12-10-17(11-13-19)14-16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one?
1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one has a molecular weight of 273.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one is sourced from PubChem (CID 2890228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).