3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane

C15H29N3 — CID 134505389

IUPAC3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CCC(C)(CN2CC3CC(C2)N3)CC1
InChIInChI=1S/C15H29N3/c1-12(2)18-6-4-15(3,5-7-18)11-17-9-13-8-14(10-17)16-13/h12-14,16H,4-11H2,1-3H3
InChIKeyLWVUSKZWADKNLF-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds3

About 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane

3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134505389) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134505389
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CCC(C)(CN2CC3CC(C2)N3)CC1
InChIInChI=1S/C15H29N3/c1-12(2)18-6-4-15(3,5-7-18)11-17-9-13-8-14(10-17)16-13/h12-14,16H,4-11H2,1-3H3
InChIKeyLWVUSKZWADKNLF-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane with MolForge

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Related Compounds

3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505388
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 178038134
3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 170374649
3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
CID 167200051
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171748518
(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine
CID 130956949
(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 146201415
4,4-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 117025067
4-ethyl-4-methyl-1-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperidine
CID 170401379
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 120901550

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane (CID 134505389) is 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane is CC(C)N1CCC(C)(CN2CC3CC(C2)N3)CC1.
What is the InChIKey of 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is LWVUSKZWADKNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)18-6-4-15(3,5-7-18)11-17-9-13-8-14(10-17)16-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 251.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134505389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).