1-(3-methoxyphenyl)-4-propylpiperazine

C14H22N2O — CID 21345773

IUPAC1-(3-methoxyphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C14H22N2O/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2/h4-6,12H,3,7-11H2,1-2H3
InChIKeyXSWNCWHBCPRVSC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.23
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-propylpiperazine

1-(3-methoxyphenyl)-4-propylpiperazine (PubChem CID 21345773) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-propylpiperazine
PubChem CID21345773
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-methoxyphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C14H22N2O/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2/h4-6,12H,3,7-11H2,1-2H3
InChIKeyXSWNCWHBCPRVSC-UHFFFAOYSA-N
XLogP2.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-propylpiperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-propylpiperazine (CID 21345773) is 1-(3-methoxyphenyl)-4-propylpiperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-propylpiperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-propylpiperazine is CCCN1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-propylpiperazine?
The InChIKey is XSWNCWHBCPRVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-propylpiperazine?
1-(3-methoxyphenyl)-4-propylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-propylpiperazine is sourced from PubChem (CID 21345773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).