9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane

C14H27N3 — CID 79174792

IUPAC9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1CCNCC1N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H27N3/c1-11-5-7-15-9-14(11)17-8-6-12-3-4-13(10-17)16(12)2/h11-15H,3-10H2,1-2H3
InChIKeyXKEOKPCDSHOINH-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.15
Rot. Bonds1

About 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane

9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 79174792) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID79174792
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1CCNCC1N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H27N3/c1-11-5-7-15-9-14(11)17-8-6-12-3-4-13(10-17)16(12)2/h11-15H,3-10H2,1-2H3
InChIKeyXKEOKPCDSHOINH-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 79174792) is 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane is CC1CCNCC1N1CCC2CCC(C1)N2C.
What is the InChIKey of 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is XKEOKPCDSHOINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11-5-7-15-9-14(11)17-8-6-12-3-4-13(10-17)16(12)2/h11-15H,3-10H2,1-2H3.
What are the key properties of 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane?
9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 237.39 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 79174792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).