4-(azetidin-1-yl)-1-tert-butylpiperidine

C12H24N2 — CID 58315219

IUPAC4-(azetidin-1-yl)-1-tert-butylpiperidine
SMILESCC(C)(C)N1CCC(N2CCC2)CC1
InChIInChI=1S/C12H24N2/c1-12(2,3)14-9-5-11(6-10-14)13-7-4-8-13/h11H,4-10H2,1-3H3
InChIKeyYXTYSFKPWSFVDR-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.96
Rot. Bonds1

About 4-(azetidin-1-yl)-1-tert-butylpiperidine

4-(azetidin-1-yl)-1-tert-butylpiperidine (PubChem CID 58315219) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1-tert-butylpiperidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1-tert-butylpiperidine
PubChem CID58315219
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-(azetidin-1-yl)-1-tert-butylpiperidine
SMILESCC(C)(C)N1CCC(N2CCC2)CC1
InChIInChI=1S/C12H24N2/c1-12(2,3)14-9-5-11(6-10-14)13-7-4-8-13/h11H,4-10H2,1-3H3
InChIKeyYXTYSFKPWSFVDR-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-1-tert-butylpiperidine?
The IUPAC name of 4-(azetidin-1-yl)-1-tert-butylpiperidine (CID 58315219) is 4-(azetidin-1-yl)-1-tert-butylpiperidine.
What is the SMILES notation for 4-(azetidin-1-yl)-1-tert-butylpiperidine?
The canonical SMILES for 4-(azetidin-1-yl)-1-tert-butylpiperidine is CC(C)(C)N1CCC(N2CCC2)CC1.
What is the InChIKey of 4-(azetidin-1-yl)-1-tert-butylpiperidine?
The InChIKey is YXTYSFKPWSFVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,3)14-9-5-11(6-10-14)13-7-4-8-13/h11H,4-10H2,1-3H3.
What are the key properties of 4-(azetidin-1-yl)-1-tert-butylpiperidine?
4-(azetidin-1-yl)-1-tert-butylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1-tert-butylpiperidine is sourced from PubChem (CID 58315219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).