tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate

C20H31N3O2 — CID 102541520

IUPACtert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-14-8-5-9-17(23)16-10-11-18(21-15-16)22-12-6-4-7-13-22/h10-11,15,17H,4-9,12-14H2,1-3H3
InChIKeyQDJLUTOHNRMJPH-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.53
Rot. Bonds2

About tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate

tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 102541520) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
PubChem CID102541520
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Nametert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-14-8-5-9-17(23)16-10-11-18(21-15-16)22-12-6-4-7-13-22/h10-11,15,17H,4-9,12-14H2,1-3H3
InChIKeyQDJLUTOHNRMJPH-UHFFFAOYSA-N
XLogP4.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate (CID 102541520) is tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1c1ccc(N2CCCCC2)nc1.
What is the InChIKey of tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is QDJLUTOHNRMJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-14-8-5-9-17(23)16-10-11-18(21-15-16)22-12-6-4-7-13-22/h10-11,15,17H,4-9,12-14H2,1-3H3.
What are the key properties of tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 345.49 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 102541520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).