1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine

C22H34N2O2 — CID 66755946

IUPAC1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine
SMILESCN1CCN(C(CCc2ccccc2)C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C22H34N2O2/c1-23-13-15-24(16-14-23)21(8-7-19-5-3-2-4-6-19)20-9-11-22(12-10-20)25-17-18-26-22/h2-6,20-21H,7-18H2,1H3
InChIKeyCYSXSKXGTKILPA-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.17
Rot. Bonds5

About 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine

1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine (PubChem CID 66755946) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine
PubChem CID66755946
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine
SMILESCN1CCN(C(CCc2ccccc2)C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C22H34N2O2/c1-23-13-15-24(16-14-23)21(8-7-19-5-3-2-4-6-19)20-9-11-22(12-10-20)25-17-18-26-22/h2-6,20-21H,7-18H2,1H3
InChIKeyCYSXSKXGTKILPA-UHFFFAOYSA-N
XLogP3.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine?
The IUPAC name of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine (CID 66755946) is 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine is CN1CCN(C(CCc2ccccc2)C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine?
The InChIKey is CYSXSKXGTKILPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-23-13-15-24(16-14-23)21(8-7-19-5-3-2-4-6-19)20-9-11-22(12-10-20)25-17-18-26-22/h2-6,20-21H,7-18H2,1H3.
What are the key properties of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine?
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine has a molecular weight of 358.53 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine is sourced from PubChem (CID 66755946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).