1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one

C15H29N3O — CID 146559785

IUPAC1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one
SMILESCC1(C)CCN(C(=O)CCCN2CCNCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2)5-10-18(11-6-15)14(19)4-3-9-17-12-7-16-8-13-17/h16H,3-13H2,1-2H3
InChIKeyVTXHRQAELPMIFZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.32
Rot. Bonds4

About 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one

1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one (PubChem CID 146559785) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one
PubChem CID146559785
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one
SMILESCC1(C)CCN(C(=O)CCCN2CCNCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2)5-10-18(11-6-15)14(19)4-3-9-17-12-7-16-8-13-17/h16H,3-13H2,1-2H3
InChIKeyVTXHRQAELPMIFZ-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one (CID 146559785) is 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one is CC1(C)CCN(C(=O)CCCN2CCNCC2)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one?
The InChIKey is VTXHRQAELPMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2)5-10-18(11-6-15)14(19)4-3-9-17-12-7-16-8-13-17/h16H,3-13H2,1-2H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one?
1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-4-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 146559785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).