tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate

C17H33N3O2 — CID 154828529

IUPACtert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCC2CCCNC2)CC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-12-10-19(11-13-20)9-5-7-15-6-4-8-18-14-15/h15,18H,4-14H2,1-3H3
InChIKeyOIKGKXJPAZGACQ-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.32
Rot. Bonds4

About tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate

tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate (PubChem CID 154828529) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate
PubChem CID154828529
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCC2CCCNC2)CC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-12-10-19(11-13-20)9-5-7-15-6-4-8-18-14-15/h15,18H,4-14H2,1-3H3
InChIKeyOIKGKXJPAZGACQ-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate (CID 154828529) is tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCCC2CCCNC2)CC1.
What is the InChIKey of tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate?
The InChIKey is OIKGKXJPAZGACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-12-10-19(11-13-20)9-5-7-15-6-4-8-18-14-15/h15,18H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate?
tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-piperidin-3-ylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 154828529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).