tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine

C28H54N4O2 — CID 162082413

IUPACtert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine
SMILESCC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.CC(C)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2.C13H26N2/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-11(2)15-9-5-13(6-10-15)12-3-7-14-8-4-12/h12-13,16H,4-11H2,1-3H3;11-14H,3-10H2,1-2H3
InChIKeyZCMYDPIYSRWYRQ-UHFFFAOYSA-N
MW478.77 g/mol
LogP4.74
Rot. Bonds3

About tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine

tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine (PubChem CID 162082413) has the molecular formula C28H54N4O2 and a molecular weight of 478.77 g/mol. Its IUPAC name is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine
PubChem CID162082413
Molecular FormulaC28H54N4O2
Molecular Weight478.77 g/mol
Exact Mass478.42
IUPAC Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine
SMILESCC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.CC(C)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2.C13H26N2/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-11(2)15-9-5-13(6-10-15)12-3-7-14-8-4-12/h12-13,16H,4-11H2,1-3H3;11-14H,3-10H2,1-2H3
InChIKeyZCMYDPIYSRWYRQ-UHFFFAOYSA-N
XLogP4.74
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.77
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine?
The IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine (CID 162082413) is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine.
What is the SMILES notation for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine?
The canonical SMILES for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine is CC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.CC(C)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine?
The InChIKey is ZCMYDPIYSRWYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.C13H26N2/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-11(2)15-9-5-13(6-10-15)12-3-7-14-8-4-12/h12-13,16H,4-11H2,1-3H3;11-14H,3-10H2,1-2H3.
What are the key properties of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine?
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine has a molecular weight of 478.77 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;4-piperidin-4-yl-1-propan-2-ylpiperidine is sourced from PubChem (CID 162082413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).