1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane

C14H26N2 — CID 164663881

IUPAC1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane
SMILESCC1CC(C)CN(CC23CCC(CC2)N3)C1
InChIInChI=1S/C14H26N2/c1-11-7-12(2)9-16(8-11)10-14-5-3-13(15-14)4-6-14/h11-13,15H,3-10H2,1-2H3
InChIKeyLEPRMAFBNCRDIO-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds2

About 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane

1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 164663881) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane
PubChem CID164663881
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane
SMILESCC1CC(C)CN(CC23CCC(CC2)N3)C1
InChIInChI=1S/C14H26N2/c1-11-7-12(2)9-16(8-11)10-14-5-3-13(15-14)4-6-14/h11-13,15H,3-10H2,1-2H3
InChIKeyLEPRMAFBNCRDIO-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane (CID 164663881) is 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane is CC1CC(C)CN(CC23CCC(CC2)N3)C1.
What is the InChIKey of 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is LEPRMAFBNCRDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-7-12(2)9-16(8-11)10-14-5-3-13(15-14)4-6-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane?
1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 222.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 164663881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).