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

C15H28N2O2 — CID 172604303

IUPAC3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one
SMILESCC(C)C(=O)CN1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)15(18)11-17-9-5-14(6-10-17)19-13-3-7-16-8-4-13/h12-14,16H,3-11H2,1-2H3
InChIKeyJBDZLQJBJISCFY-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.44
Rot. Bonds5

About 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one

3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one (PubChem CID 172604303) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one
PubChem CID172604303
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one
SMILESCC(C)C(=O)CN1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)15(18)11-17-9-5-14(6-10-17)19-13-3-7-16-8-4-13/h12-14,16H,3-11H2,1-2H3
InChIKeyJBDZLQJBJISCFY-UHFFFAOYSA-N
XLogP1.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethoxy-1-(piperidin-4-ylmethyl)piperidine
CID 61215635
1-(Piperidin-4-ylmethyl)-4-propan-2-yloxypiperidine
CID 156719972
1-(Piperidin-4-ylmethyl)-4-propoxypiperidine
CID 156867140
3-Methyl-1-[4-[3-(methylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one
CID 157384276
4-Ethoxy-1-(piperidin-1-ium-4-ylmethyl)piperidine
CID 165137278
3-Methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
CID 171799915
1-(4-Piperidin-4-yloxypiperidin-1-yl)butan-2-one
CID 172604470
3-Methyl-1-[4-[2-(propan-2-ylamino)ethoxy]piperidin-1-yl]butan-2-one;molecular hydrogen
CID 176575738
3-Methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethylamino]butan-2-one
CID 176575783
1-[4-[1-[2-(Ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen
CID 176576637
1-[4-[1-[2-(Ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one
CID 176576638
3-Methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
CID 176577325

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one (CID 172604303) is 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one is CC(C)C(=O)CN1CCC(OC2CCNCC2)CC1.
What is the InChIKey of 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one?
The InChIKey is JBDZLQJBJISCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)15(18)11-17-9-5-14(6-10-17)19-13-3-7-16-8-4-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one?
3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one is sourced from PubChem (CID 172604303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).