tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate

C15H29N3O2 — CID 22321697

IUPACtert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-8-4-13(5-9-18)12-17-10-6-16-7-11-17/h13,16H,4-12H2,1-3H3
InChIKeyUYZVZLYOXDJHPR-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.54
Rot. Bonds2

About tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate

tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate (PubChem CID 22321697) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
PubChem CID22321697
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-8-4-13(5-9-18)12-17-10-6-16-7-11-17/h13,16H,4-12H2,1-3H3
InChIKeyUYZVZLYOXDJHPR-UHFFFAOYSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate (CID 22321697) is tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate?
The InChIKey is UYZVZLYOXDJHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-8-4-13(5-9-18)12-17-10-6-16-7-11-17/h13,16H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 22321697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).