(4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate

C15H29N3O2 — CID 174493543

IUPAC(4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)ON1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)12-14(19)20-18-10-8-17(9-11-18)13-4-6-16-7-5-13/h13,16H,4-12H2,1-3H3
InChIKeyMPZMIXPXZRRAKS-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.25
Rot. Bonds3

About (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate

(4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate (PubChem CID 174493543) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate.

Molecular Properties

Compound Name(4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate
PubChem CID174493543
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)ON1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)12-14(19)20-18-10-8-17(9-11-18)13-4-6-16-7-5-13/h13,16H,4-12H2,1-3H3
InChIKeyMPZMIXPXZRRAKS-UHFFFAOYSA-N
XLogP1.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate?
The IUPAC name of (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate (CID 174493543) is (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate.
What is the SMILES notation for (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate?
The canonical SMILES for (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate is CC(C)(C)CC(=O)ON1CCN(C2CCNCC2)CC1.
What is the InChIKey of (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate?
The InChIKey is MPZMIXPXZRRAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,3)12-14(19)20-18-10-8-17(9-11-18)13-4-6-16-7-5-13/h13,16H,4-12H2,1-3H3.
What are the key properties of (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate?
(4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate has a molecular weight of 283.42 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate is sourced from PubChem (CID 174493543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).