tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate

C19H38N4O2 — CID 20872285

IUPACtert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate
SMILESCCCN1CCN(CC(C)N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O2/c1-6-7-20-8-10-21(11-9-20)16-17(2)22-12-14-23(15-13-22)18(24)25-19(3,4)5/h17H,6-16H2,1-5H3
InChIKeyNKGVOKDKNRHSGE-UHFFFAOYSA-N
MW354.54 g/mol
LogP1.96
Rot. Bonds5

About tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate

tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate (PubChem CID 20872285) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate
PubChem CID20872285
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Nametert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate
SMILESCCCN1CCN(CC(C)N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O2/c1-6-7-20-8-10-21(11-9-20)16-17(2)22-12-14-23(15-13-22)18(24)25-19(3,4)5/h17H,6-16H2,1-5H3
InChIKeyNKGVOKDKNRHSGE-UHFFFAOYSA-N
XLogP1.96
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate (CID 20872285) is tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate is CCCN1CCN(CC(C)N2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate?
The InChIKey is NKGVOKDKNRHSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-6-7-20-8-10-21(11-9-20)16-17(2)22-12-14-23(15-13-22)18(24)25-19(3,4)5/h17H,6-16H2,1-5H3.
What are the key properties of tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate has a molecular weight of 354.54 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(4-propylpiperazin-1-yl)propan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 20872285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).