1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one

C15H28N2O2 — CID 91916435

IUPAC1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-15(18)17-11-7-14(8-12-17)19-13-5-9-16(2)10-6-13/h13-14H,3-12H2,1-2H3
InChIKeyNCQXOPFVPFQDJX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds4

About 1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one

1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one (PubChem CID 91916435) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one
PubChem CID91916435
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-15(18)17-11-7-14(8-12-17)19-13-5-9-16(2)10-6-13/h13-14H,3-12H2,1-2H3
InChIKeyNCQXOPFVPFQDJX-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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Related Compounds

1-{4-[(1-Propionyl-4-piperidyl)oxy]piperidino}-1-propanone
CID 91916304
2-Ethyl-1-{4-[(1-methyl-4-piperidyl)oxy]piperidino}-1-butanone
CID 91916415
Cyclopropyl{4-[(1-methyl-4-piperidyl)oxy]piperidino}methanone
CID 110876283
2,2-Dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 110876285
2,2-Dimethyl-1-[2-(piperidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 129255640
2-(4-Methoxypiperidin-1-yl)-1-piperidin-1-ylethanone
CID 53524569
1-[4-(4-Ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one
CID 131909971
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanone
CID 156187211
1-[4-(3-Fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]ethanone
CID 156187212
1-[4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 156707400
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 156707401
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one (CID 91916435) is 1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(OC2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one?
The InChIKey is NCQXOPFVPFQDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-4-15(18)17-11-7-14(8-12-17)19-13-5-9-16(2)10-6-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one?
1-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-1-one is sourced from PubChem (CID 91916435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).