4-(azetidin-3-yl)-1-cyclopropylpiperidine

C11H20N2 — CID 138111863

IUPAC4-(azetidin-3-yl)-1-cyclopropylpiperidine
SMILESC1CN(C2CC2)CCC1C1CNC1
InChIInChI=1S/C11H20N2/c1-2-11(1)13-5-3-9(4-6-13)10-7-12-8-10/h9-12H,1-8H2
InChIKeyAXIYMIXXAIFXQP-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds2

About 4-(azetidin-3-yl)-1-cyclopropylpiperidine

4-(azetidin-3-yl)-1-cyclopropylpiperidine (PubChem CID 138111863) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-1-cyclopropylpiperidine.

Molecular Properties

Compound Name4-(azetidin-3-yl)-1-cyclopropylpiperidine
PubChem CID138111863
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-(azetidin-3-yl)-1-cyclopropylpiperidine
SMILESC1CN(C2CC2)CCC1C1CNC1
InChIInChI=1S/C11H20N2/c1-2-11(1)13-5-3-9(4-6-13)10-7-12-8-10/h9-12H,1-8H2
InChIKeyAXIYMIXXAIFXQP-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-1-cyclopropylpiperidine?
The IUPAC name of 4-(azetidin-3-yl)-1-cyclopropylpiperidine (CID 138111863) is 4-(azetidin-3-yl)-1-cyclopropylpiperidine.
What is the SMILES notation for 4-(azetidin-3-yl)-1-cyclopropylpiperidine?
The canonical SMILES for 4-(azetidin-3-yl)-1-cyclopropylpiperidine is C1CN(C2CC2)CCC1C1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)-1-cyclopropylpiperidine?
The InChIKey is AXIYMIXXAIFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-11(1)13-5-3-9(4-6-13)10-7-12-8-10/h9-12H,1-8H2.
What are the key properties of 4-(azetidin-3-yl)-1-cyclopropylpiperidine?
4-(azetidin-3-yl)-1-cyclopropylpiperidine has a molecular weight of 180.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-1-cyclopropylpiperidine is sourced from PubChem (CID 138111863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).