tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate

C16H30N2O2 — CID 175919021

IUPACtert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate
SMILESCN1CCC(C(=O)OC(C)(C)C)CC1C1CCNCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)13-7-10-18(4)14(11-13)12-5-8-17-9-6-12/h12-14,17H,5-11H2,1-4H3
InChIKeyINKWEEMUARPAMZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate

tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate (PubChem CID 175919021) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate
PubChem CID175919021
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate
SMILESCN1CCC(C(=O)OC(C)(C)C)CC1C1CCNCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)13-7-10-18(4)14(11-13)12-5-8-17-9-6-12/h12-14,17H,5-11H2,1-4H3
InChIKeyINKWEEMUARPAMZ-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate (CID 175919021) is tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate is CN1CCC(C(=O)OC(C)(C)C)CC1C1CCNCC1.
What is the InChIKey of tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate?
The InChIKey is INKWEEMUARPAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)13-7-10-18(4)14(11-13)12-5-8-17-9-6-12/h12-14,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate?
tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-2-piperidin-4-ylpiperidine-4-carboxylate is sourced from PubChem (CID 175919021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).