1-(azetidin-3-yl)-4-tert-butylpiperidine

C12H24N2 — CID 62785369

IUPAC1-(azetidin-3-yl)-4-tert-butylpiperidine
SMILESCC(C)(C)C1CCN(C2CNC2)CC1
InChIInChI=1S/C12H24N2/c1-12(2,3)10-4-6-14(7-5-10)11-8-13-9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyRERQVXOBJWSYQE-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds1

About 1-(azetidin-3-yl)-4-tert-butylpiperidine

1-(azetidin-3-yl)-4-tert-butylpiperidine (PubChem CID 62785369) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-tert-butylpiperidine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-tert-butylpiperidine
PubChem CID62785369
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(azetidin-3-yl)-4-tert-butylpiperidine
SMILESCC(C)(C)C1CCN(C2CNC2)CC1
InChIInChI=1S/C12H24N2/c1-12(2,3)10-4-6-14(7-5-10)11-8-13-9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyRERQVXOBJWSYQE-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-tert-butylpiperidine?
The IUPAC name of 1-(azetidin-3-yl)-4-tert-butylpiperidine (CID 62785369) is 1-(azetidin-3-yl)-4-tert-butylpiperidine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-tert-butylpiperidine?
The canonical SMILES for 1-(azetidin-3-yl)-4-tert-butylpiperidine is CC(C)(C)C1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-tert-butylpiperidine?
The InChIKey is RERQVXOBJWSYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,3)10-4-6-14(7-5-10)11-8-13-9-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-4-tert-butylpiperidine?
1-(azetidin-3-yl)-4-tert-butylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-tert-butylpiperidine is sourced from PubChem (CID 62785369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).