3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane

C12H23N3 — CID 170263293

IUPAC3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCN1CC2CC(C1)N2CC1CCNCC1
InChIInChI=1S/C12H23N3/c1-14-8-11-6-12(9-14)15(11)7-10-2-4-13-5-3-10/h10-13H,2-9H2,1H3
InChIKeyZQIHXWGPIRXFGN-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.37
Rot. Bonds2

About 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane

3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 170263293) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
PubChem CID170263293
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCN1CC2CC(C1)N2CC1CCNCC1
InChIInChI=1S/C12H23N3/c1-14-8-11-6-12(9-14)15(11)7-10-2-4-13-5-3-10/h10-13H,2-9H2,1H3
InChIKeyZQIHXWGPIRXFGN-UHFFFAOYSA-N
XLogP0.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 171564868
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
2-tert-butyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 176841736
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine
CID 167474863
1-[[1-(1-methylpyrrolidin-3-yl)piperidin-4-yl]methyl]piperazine
CID 167091333
1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 120854846
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
CID 103533927

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane (CID 170263293) is 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane is CN1CC2CC(C1)N2CC1CCNCC1.
What is the InChIKey of 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is ZQIHXWGPIRXFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-14-8-11-6-12(9-14)15(11)7-10-2-4-13-5-3-10/h10-13H,2-9H2,1H3.
What are the key properties of 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 209.34 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 170263293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).