tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate

C16H32N4O2 — CID 129073808

IUPACtert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN1CCNCC1)C1CCNCC1
InChIInChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20(14-4-6-17-7-5-14)13-12-19-10-8-18-9-11-19/h14,17-18H,4-13H2,1-3H3
InChIKeyIFHWWJYMEBTYNR-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.88
Rot. Bonds4

About tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate

tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate (PubChem CID 129073808) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate
PubChem CID129073808
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nametert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN1CCNCC1)C1CCNCC1
InChIInChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20(14-4-6-17-7-5-14)13-12-19-10-8-18-9-11-19/h14,17-18H,4-13H2,1-3H3
InChIKeyIFHWWJYMEBTYNR-UHFFFAOYSA-N
XLogP0.88
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate (CID 129073808) is tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(CCN1CCNCC1)C1CCNCC1.
What is the InChIKey of tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate?
The InChIKey is IFHWWJYMEBTYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20(14-4-6-17-7-5-14)13-12-19-10-8-18-9-11-19/h14,17-18H,4-13H2,1-3H3.
What are the key properties of tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate?
tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate has a molecular weight of 312.46 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 129073808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).