3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C19H38N4 — CID 146188506

IUPAC3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(CCN1CC2CCC(C1)N2C(C)C)N1CCN(C)CC1C
InChIInChI=1S/C19H38N4/c1-15(2)23-18-6-7-19(23)14-21(13-18)9-8-16(3)22-11-10-20(5)12-17(22)4/h15-19H,6-14H2,1-5H3
InChIKeyKXYXRDYBRSYZLG-UHFFFAOYSA-N
MW322.54 g/mol
LogP1.96
Rot. Bonds5

About 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 146188506) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID146188506
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(CCN1CC2CCC(C1)N2C(C)C)N1CCN(C)CC1C
InChIInChI=1S/C19H38N4/c1-15(2)23-18-6-7-19(23)14-21(13-18)9-8-16(3)22-11-10-20(5)12-17(22)4/h15-19H,6-14H2,1-5H3
InChIKeyKXYXRDYBRSYZLG-UHFFFAOYSA-N
XLogP1.96
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 146188506) is 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(CCN1CC2CCC(C1)N2C(C)C)N1CCN(C)CC1C.
What is the InChIKey of 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is KXYXRDYBRSYZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/c1-15(2)23-18-6-7-19(23)14-21(13-18)9-8-16(3)22-11-10-20(5)12-17(22)4/h15-19H,6-14H2,1-5H3.
What are the key properties of 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 322.54 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dimethylpiperazin-1-yl)butyl]-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 146188506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).