(1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane

C13H25N3 — CID 138656923

IUPAC(1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CCC(CN2C[C@H]3C[C@@H]2CN3C)CC1
InChIInChI=1S/C13H25N3/c1-14-5-3-11(4-6-14)8-16-10-12-7-13(16)9-15(12)2/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyCBAVMWFPAULHMH-CHWSQXEVSA-N
MW223.36 g/mol
LogP0.72
Rot. Bonds2

About (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 138656923) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID138656923
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CCC(CN2C[C@H]3C[C@@H]2CN3C)CC1
InChIInChI=1S/C13H25N3/c1-14-5-3-11(4-6-14)8-16-10-12-7-13(16)9-15(12)2/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyCBAVMWFPAULHMH-CHWSQXEVSA-N
XLogP0.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 138656923) is (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane is CN1CCC(CN2C[C@H]3C[C@@H]2CN3C)CC1.
What is the InChIKey of (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is CBAVMWFPAULHMH-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H25N3/c1-14-5-3-11(4-6-14)8-16-10-12-7-13(16)9-15(12)2/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 223.36 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 138656923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).