tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate

C19H37N3O2 — CID 68662662

IUPACtert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate
SMILESCC(C)CN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O2/c1-15(2)14-21-10-8-17(9-11-21)22-12-6-16(7-13-22)20-18(23)24-19(3,4)5/h15-17H,6-14H2,1-5H3,(H,20,23)
InChIKeyCEXJIPQNUOPIAQ-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.10
Rot. Bonds4

About tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate (PubChem CID 68662662) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate
PubChem CID68662662
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Nametert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate
SMILESCC(C)CN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O2/c1-15(2)14-21-10-8-17(9-11-21)22-12-6-16(7-13-22)20-18(23)24-19(3,4)5/h15-17H,6-14H2,1-5H3,(H,20,23)
InChIKeyCEXJIPQNUOPIAQ-UHFFFAOYSA-N
XLogP3.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate (CID 68662662) is tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate is CC(C)CN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate?
The InChIKey is CEXJIPQNUOPIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-15(2)14-21-10-8-17(9-11-21)22-12-6-16(7-13-22)20-18(23)24-19(3,4)5/h15-17H,6-14H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate has a molecular weight of 339.52 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 68662662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).