6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane

C14H26N2 — CID 176984978

IUPAC6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane
SMILESCC1C2CC1CN(CC1CCN(C)CC1)C2
InChIInChI=1S/C14H26N2/c1-11-13-7-14(11)10-16(9-13)8-12-3-5-15(2)6-4-12/h11-14H,3-10H2,1-2H3
InChIKeyJAGRLSCWHGGQOO-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.92
Rot. Bonds2

About 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane

6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane (PubChem CID 176984978) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane
PubChem CID176984978
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane
SMILESCC1C2CC1CN(CC1CCN(C)CC1)C2
InChIInChI=1S/C14H26N2/c1-11-13-7-14(11)10-16(9-13)8-12-3-5-15(2)6-4-12/h11-14H,3-10H2,1-2H3
InChIKeyJAGRLSCWHGGQOO-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 162741705
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
2-methyl-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167091235
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
CID 139380854
4-ethyl-3-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 165137857
2,3a-dimethyl-5-[(1-methylpiperidin-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 167009734
ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
CID 177318564
ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165138024

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane (CID 176984978) is 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane is CC1C2CC1CN(CC1CCN(C)CC1)C2.
What is the InChIKey of 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane?
The InChIKey is JAGRLSCWHGGQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-13-7-14(11)10-16(9-13)8-12-3-5-15(2)6-4-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane?
6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane has a molecular weight of 222.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 176984978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).