ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine

C28H52N4O — CID 177239823

IUPACethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine
SMILESCC.Cc1ccc(CCCN2CCN(C(C)(C)COCC(C)(C)N3CCNCC3)CC2)cc1
InChIInChI=1S/C26H46N4O.C2H6/c1-23-8-10-24(11-9-23)7-6-14-28-17-19-30(20-18-28)26(4,5)22-31-21-25(2,3)29-15-12-27-13-16-29;1-2/h8-11,27H,6-7,12-22H2,1-5H3;1-2H3
InChIKeyXYLWRYWCTWIIQT-UHFFFAOYSA-N
MW460.75 g/mol
LogP4.05
Rot. Bonds10

About ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine

ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine (PubChem CID 177239823) has the molecular formula C28H52N4O and a molecular weight of 460.75 g/mol. Its IUPAC name is ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Nameethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine
PubChem CID177239823
Molecular FormulaC28H52N4O
Molecular Weight460.75 g/mol
Exact Mass460.41
IUPAC Nameethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine
SMILESCC.Cc1ccc(CCCN2CCN(C(C)(C)COCC(C)(C)N3CCNCC3)CC2)cc1
InChIInChI=1S/C26H46N4O.C2H6/c1-23-8-10-24(11-9-23)7-6-14-28-17-19-30(20-18-28)26(4,5)22-31-21-25(2,3)29-15-12-27-13-16-29;1-2/h8-11,27H,6-7,12-22H2,1-5H3;1-2H3
InChIKeyXYLWRYWCTWIIQT-UHFFFAOYSA-N
XLogP4.05
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine?
The IUPAC name of ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine (CID 177239823) is ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine.
What is the SMILES notation for ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine?
The canonical SMILES for ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine is CC.Cc1ccc(CCCN2CCN(C(C)(C)COCC(C)(C)N3CCNCC3)CC2)cc1.
What is the InChIKey of ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine?
The InChIKey is XYLWRYWCTWIIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N4O.C2H6/c1-23-8-10-24(11-9-23)7-6-14-28-17-19-30(20-18-28)26(4,5)22-31-21-25(2,3)29-15-12-27-13-16-29;1-2/h8-11,27H,6-7,12-22H2,1-5H3;1-2H3.
What are the key properties of ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine?
ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine has a molecular weight of 460.75 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-methyl-1-(2-methyl-2-piperazin-1-ylpropoxy)propan-2-yl]-4-[3-(4-methylphenyl)propyl]piperazine is sourced from PubChem (CID 177239823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).