2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine

C25H52N4 — CID 126724895

IUPAC2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine
SMILESCC(CCC(C)(C)N1CCC(CCN(C)C)CC1)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C25H52N4/c1-22(28-19-17-27(18-20-28)21-24(2,3)4)9-13-25(5,6)29-15-11-23(12-16-29)10-14-26(7)8/h22-23H,9-21H2,1-8H3
InChIKeyGGCCFDYHDNNCTO-UHFFFAOYSA-N
MW408.72 g/mol
LogP4.26
Rot. Bonds9

About 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine

2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine (PubChem CID 126724895) has the molecular formula C25H52N4 and a molecular weight of 408.72 g/mol. Its IUPAC name is 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine
PubChem CID126724895
Molecular FormulaC25H52N4
Molecular Weight408.72 g/mol
Exact Mass408.42
IUPAC Name2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine
SMILESCC(CCC(C)(C)N1CCC(CCN(C)C)CC1)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C25H52N4/c1-22(28-19-17-27(18-20-28)21-24(2,3)4)9-13-25(5,6)29-15-11-23(12-16-29)10-14-26(7)8/h22-23H,9-21H2,1-8H3
InChIKeyGGCCFDYHDNNCTO-UHFFFAOYSA-N
XLogP4.26
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.72
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine (CID 126724895) is 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine is CC(CCC(C)(C)N1CCC(CCN(C)C)CC1)N1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine?
The InChIKey is GGCCFDYHDNNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N4/c1-22(28-19-17-27(18-20-28)21-24(2,3)4)9-13-25(5,6)29-15-11-23(12-16-29)10-14-26(7)8/h22-23H,9-21H2,1-8H3.
What are the key properties of 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine?
2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine has a molecular weight of 408.72 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylhexan-2-yl]piperidin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 126724895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).