1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one

C15H28N2O2 — CID 22973285

IUPAC1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC(OC)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-15(18)17-9-5-13(6-10-17)16-11-7-14(19-2)8-12-16/h13-14H,3-12H2,1-2H3
InChIKeyIQAFUXPCODADAX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds4

About 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one

1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one (PubChem CID 22973285) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one
PubChem CID22973285
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC(OC)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-15(18)17-9-5-13(6-10-17)16-11-7-14(19-2)8-12-16/h13-14H,3-12H2,1-2H3
InChIKeyIQAFUXPCODADAX-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one (CID 22973285) is 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(N2CCC(OC)CC2)CC1.
What is the InChIKey of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one?
The InChIKey is IQAFUXPCODADAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-4-15(18)17-9-5-13(6-10-17)16-11-7-14(19-2)8-12-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one?
1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 22973285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).