2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane

C13H25N3 — CID 162741991

IUPAC2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane
SMILESCN1CCC(CN2CC3(CCNC3)C2)CC1
InChIInChI=1S/C13H25N3/c1-15-6-2-12(3-7-15)8-16-10-13(11-16)4-5-14-9-13/h12,14H,2-11H2,1H3
InChIKeyJCMVSIWGABRSHW-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.62
Rot. Bonds2

About 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane

2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane (PubChem CID 162741991) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane
PubChem CID162741991
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane
SMILESCN1CCC(CN2CC3(CCNC3)C2)CC1
InChIInChI=1S/C13H25N3/c1-15-6-2-12(3-7-15)8-16-10-13(11-16)4-5-14-9-13/h12,14H,2-11H2,1H3
InChIKeyJCMVSIWGABRSHW-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane (CID 162741991) is 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane is CN1CCC(CN2CC3(CCNC3)C2)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane?
The InChIKey is JCMVSIWGABRSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-15-6-2-12(3-7-15)8-16-10-13(11-16)4-5-14-9-13/h12,14H,2-11H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane?
2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane has a molecular weight of 223.36 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 162741991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).