1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane

C33H75N3 — CID 170739197

IUPAC1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane
SMILESC.CC.CC.CCC.CCC(C)(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C25H51N3.C3H8.2C2H6.CH4/c1-11-22(2,3)25(8,9)21-12-14-27(15-13-21)23(4,5)20-24(6,7)28-18-16-26(10)17-19-28;1-3-2;2*1-2;/h21H,11-20H2,1-10H3;3H2,1-2H3;2*1-2H3;1H4
InChIKeyFSCXCQDRGZHUOT-UHFFFAOYSA-N
MW513.98 g/mol
LogP9.46
Rot. Bonds7

About 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane

1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane (PubChem CID 170739197) has the molecular formula C33H75N3 and a molecular weight of 513.98 g/mol. Its IUPAC name is 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane.

Molecular Properties

Compound Name1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane
PubChem CID170739197
Molecular FormulaC33H75N3
Molecular Weight513.98 g/mol
Exact Mass513.60
IUPAC Name1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane
SMILESC.CC.CC.CCC.CCC(C)(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C25H51N3.C3H8.2C2H6.CH4/c1-11-22(2,3)25(8,9)21-12-14-27(15-13-21)23(4,5)20-24(6,7)28-18-16-26(10)17-19-28;1-3-2;2*1-2;/h21H,11-20H2,1-10H3;3H2,1-2H3;2*1-2H3;1H4
InChIKeyFSCXCQDRGZHUOT-UHFFFAOYSA-N
XLogP9.46
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.98
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane?
The IUPAC name of 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane (CID 170739197) is 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane.
What is the SMILES notation for 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane?
The canonical SMILES for 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane is C.CC.CC.CCC.CCC(C)(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane?
The InChIKey is FSCXCQDRGZHUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N3.C3H8.2C2H6.CH4/c1-11-22(2,3)25(8,9)21-12-14-27(15-13-21)23(4,5)20-24(6,7)28-18-16-26(10)17-19-28;1-3-2;2*1-2;/h21H,11-20H2,1-10H3;3H2,1-2H3;2*1-2H3;1H4.
What are the key properties of 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane?
1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane has a molecular weight of 513.98 g/mol, XLogP of 9.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-4-[4-(2,3,3-trimethylpentan-2-yl)piperidin-1-yl]pentan-2-yl]-4-methylpiperazine;ethane;methane;propane is sourced from PubChem (CID 170739197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).