1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one

C14H26N2O2 — CID 172604470

IUPAC1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one
SMILESCCC(=O)CN1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-12(17)11-16-9-5-14(6-10-16)18-13-3-7-15-8-4-13/h13-15H,2-11H2,1H3
InChIKeyHYNAAOKKZNUYOS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.20
Rot. Bonds5

About 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one

1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one (PubChem CID 172604470) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one
PubChem CID172604470
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one
SMILESCCC(=O)CN1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-12(17)11-16-9-5-14(6-10-16)18-13-3-7-15-8-4-13/h13-15H,2-11H2,1H3
InChIKeyHYNAAOKKZNUYOS-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(piperidin-4-yloxy)piperidine
CID 23079657
1-(4-Piperidin-4-yloxypiperidin-1-yl)ethanone
CID 68022058
1-Butyl-4-piperidin-4-yloxypiperidine
CID 68968738
1-[4-(1-Methanidylpiperidin-1-ium-4-yl)oxypiperidin-1-yl]ethanone
CID 88553540
Ethane;1-methyl-4-piperidin-4-yloxypiperidine
CID 90990469
1-Ethyl-4-piperidin-4-yloxypiperidine
CID 117046276
(1-Methylpiperidin-4-yl) acetate;piperidine
CID 118225576
4-Ethoxy-1-(3-piperidin-4-yloxybutyl)piperidine
CID 139444066
1-[4-[3-(Ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one
CID 142407664
Ethane;1-methyl-4-piperidin-4-yloxypiperidine
CID 170629571
3-Methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one
CID 172604303
1-[4-(1-Methylpiperidin-4-yl)oxypiperidin-1-yl]propan-2-one
CID 174331827

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one?
The IUPAC name of 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one (CID 172604470) is 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one.
What is the SMILES notation for 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one?
The canonical SMILES for 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one is CCC(=O)CN1CCC(OC2CCNCC2)CC1.
What is the InChIKey of 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one?
The InChIKey is HYNAAOKKZNUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-12(17)11-16-9-5-14(6-10-16)18-13-3-7-15-8-4-13/h13-15H,2-11H2,1H3.
What are the key properties of 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one?
1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one is sourced from PubChem (CID 172604470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).