4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine

C28H57N5O — CID 134186165

IUPAC4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine
SMILESCC(C)CN1CCN(CCC(C)C(C)(C)N2CCN(C)CC2CC(C)CN2CCOCC2)CC1
InChIInChI=1S/C28H57N5O/c1-24(2)21-31-13-11-30(12-14-31)9-8-26(4)28(5,6)33-15-10-29(7)23-27(33)20-25(3)22-32-16-18-34-19-17-32/h24-27H,8-23H2,1-7H3
InChIKeyAAEGETVRLWGFQK-UHFFFAOYSA-N
MW479.80 g/mol
LogP3.04
Rot. Bonds11

About 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine

4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine (PubChem CID 134186165) has the molecular formula C28H57N5O and a molecular weight of 479.80 g/mol. Its IUPAC name is 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine
PubChem CID134186165
Molecular FormulaC28H57N5O
Molecular Weight479.80 g/mol
Exact Mass479.46
IUPAC Name4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine
SMILESCC(C)CN1CCN(CCC(C)C(C)(C)N2CCN(C)CC2CC(C)CN2CCOCC2)CC1
InChIInChI=1S/C28H57N5O/c1-24(2)21-31-13-11-30(12-14-31)9-8-26(4)28(5,6)33-15-10-29(7)23-27(33)20-25(3)22-32-16-18-34-19-17-32/h24-27H,8-23H2,1-7H3
InChIKeyAAEGETVRLWGFQK-UHFFFAOYSA-N
XLogP3.04
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.80
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine?
The IUPAC name of 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine (CID 134186165) is 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine.
What is the SMILES notation for 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine?
The canonical SMILES for 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine is CC(C)CN1CCN(CCC(C)C(C)(C)N2CCN(C)CC2CC(C)CN2CCOCC2)CC1.
What is the InChIKey of 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine?
The InChIKey is AAEGETVRLWGFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N5O/c1-24(2)21-31-13-11-30(12-14-31)9-8-26(4)28(5,6)33-15-10-29(7)23-27(33)20-25(3)22-32-16-18-34-19-17-32/h24-27H,8-23H2,1-7H3.
What are the key properties of 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine?
4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine has a molecular weight of 479.80 g/mol, XLogP of 3.04, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[2,3-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-yl]-4-methylpiperazin-2-yl]-2-methylpropyl]morpholine is sourced from PubChem (CID 134186165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).