6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane

C15H29N3 — CID 166461762

IUPAC6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane
SMILESCC(C)N1CCN(CC2CC3CC(C2)N3C)CC1
InChIInChI=1S/C15H29N3/c1-12(2)18-6-4-17(5-7-18)11-13-8-14-10-15(9-13)16(14)3/h12-15H,4-11H2,1-3H3
InChIKeyQPYXIOOWMJPINK-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.50
Rot. Bonds3

About 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane

6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane (PubChem CID 166461762) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane
PubChem CID166461762
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane
SMILESCC(C)N1CCN(CC2CC3CC(C2)N3C)CC1
InChIInChI=1S/C15H29N3/c1-12(2)18-6-4-17(5-7-18)11-13-8-14-10-15(9-13)16(14)3/h12-15H,4-11H2,1-3H3
InChIKeyQPYXIOOWMJPINK-UHFFFAOYSA-N
XLogP1.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane (CID 166461762) is 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane is CC(C)N1CCN(CC2CC3CC(C2)N3C)CC1.
What is the InChIKey of 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane?
The InChIKey is QPYXIOOWMJPINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)18-6-4-17(5-7-18)11-13-8-14-10-15(9-13)16(14)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane?
6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane has a molecular weight of 251.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 166461762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).