[2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate

C15H29N3O2 — CID 151134239

IUPAC[2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CN1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-13(19)20-15(2,3)12-17-8-10-18(11-9-17)14-4-6-16-7-5-14/h14,16H,4-12H2,1-3H3
InChIKeyMUWIYMYXCKGMAB-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds4

About [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate

[2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate (PubChem CID 151134239) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate
PubChem CID151134239
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name[2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CN1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-13(19)20-15(2,3)12-17-8-10-18(11-9-17)14-4-6-16-7-5-14/h14,16H,4-12H2,1-3H3
InChIKeyMUWIYMYXCKGMAB-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate?
The IUPAC name of [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate (CID 151134239) is [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate is CC(=O)OC(C)(C)CN1CCN(C2CCNCC2)CC1.
What is the InChIKey of [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate?
The InChIKey is MUWIYMYXCKGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13(19)20-15(2,3)12-17-8-10-18(11-9-17)14-4-6-16-7-5-14/h14,16H,4-12H2,1-3H3.
What are the key properties of [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate?
[2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate has a molecular weight of 283.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate is sourced from PubChem (CID 151134239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).