5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane

C11H20N2 — CID 114697565

IUPAC5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane
SMILESCC1(N2CC3(CC3)C2)CCNCC1
InChIInChI=1S/C11H20N2/c1-10(4-6-12-7-5-10)13-8-11(9-13)2-3-11/h12H,2-9H2,1H3
InChIKeyVHGREVNLWCWSNY-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.22
Rot. Bonds1

About 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane

5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane (PubChem CID 114697565) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane
PubChem CID114697565
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane
SMILESCC1(N2CC3(CC3)C2)CCNCC1
InChIInChI=1S/C11H20N2/c1-10(4-6-12-7-5-10)13-8-11(9-13)2-3-11/h12H,2-9H2,1H3
InChIKeyVHGREVNLWCWSNY-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane?
The IUPAC name of 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane (CID 114697565) is 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane is CC1(N2CC3(CC3)C2)CCNCC1.
What is the InChIKey of 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane?
The InChIKey is VHGREVNLWCWSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(4-6-12-7-5-10)13-8-11(9-13)2-3-11/h12H,2-9H2,1H3.
What are the key properties of 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane?
5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane has a molecular weight of 180.29 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane is sourced from PubChem (CID 114697565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).