4-(azetidin-1-yl)piperidin-1-ium

C8H17N2+ — CID 86311971

IUPAC4-(azetidin-1-yl)piperidin-1-ium
SMILESC1CN(C2CC[NH2+]CC2)C1
InChIInChI=1S/C8H16N2/c1-6-10(7-1)8-2-4-9-5-3-8/h8-9H,1-7H2/p+1
InChIKeyDDOFLXMWWKLMSZ-UHFFFAOYSA-O
MW141.24 g/mol
LogP-0.58
Rot. Bonds1

About 4-(azetidin-1-yl)piperidin-1-ium

4-(azetidin-1-yl)piperidin-1-ium (PubChem CID 86311971) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-(azetidin-1-yl)piperidin-1-ium.

Molecular Properties

Compound Name4-(azetidin-1-yl)piperidin-1-ium
PubChem CID86311971
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Name4-(azetidin-1-yl)piperidin-1-ium
SMILESC1CN(C2CC[NH2+]CC2)C1
InChIInChI=1S/C8H16N2/c1-6-10(7-1)8-2-4-9-5-3-8/h8-9H,1-7H2/p+1
InChIKeyDDOFLXMWWKLMSZ-UHFFFAOYSA-O
XLogP-0.58
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)piperidin-1-ium?
The IUPAC name of 4-(azetidin-1-yl)piperidin-1-ium (CID 86311971) is 4-(azetidin-1-yl)piperidin-1-ium.
What is the SMILES notation for 4-(azetidin-1-yl)piperidin-1-ium?
The canonical SMILES for 4-(azetidin-1-yl)piperidin-1-ium is C1CN(C2CC[NH2+]CC2)C1.
What is the InChIKey of 4-(azetidin-1-yl)piperidin-1-ium?
The InChIKey is DDOFLXMWWKLMSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2/c1-6-10(7-1)8-2-4-9-5-3-8/h8-9H,1-7H2/p+1.
What are the key properties of 4-(azetidin-1-yl)piperidin-1-ium?
4-(azetidin-1-yl)piperidin-1-ium has a molecular weight of 141.24 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)piperidin-1-ium is sourced from PubChem (CID 86311971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).