1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine

C18H30N2O — CID 64862127

IUPAC1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine
SMILESCOCCCN1CC(C)(c2ccccc2)NCC1C(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)17-13-19-18(3,16-9-6-5-7-10-16)14-20(17)11-8-12-21-4/h5-7,9-10,15,17,19H,8,11-14H2,1-4H3
InChIKeyNQZWZPOUBVYXJG-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.87
Rot. Bonds6

About 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine

1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine (PubChem CID 64862127) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine
PubChem CID64862127
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine
SMILESCOCCCN1CC(C)(c2ccccc2)NCC1C(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)17-13-19-18(3,16-9-6-5-7-10-16)14-20(17)11-8-12-21-4/h5-7,9-10,15,17,19H,8,11-14H2,1-4H3
InChIKeyNQZWZPOUBVYXJG-UHFFFAOYSA-N
XLogP2.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine (CID 64862127) is 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine is COCCCN1CC(C)(c2ccccc2)NCC1C(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine?
The InChIKey is NQZWZPOUBVYXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)17-13-19-18(3,16-9-6-5-7-10-16)14-20(17)11-8-12-21-4/h5-7,9-10,15,17,19H,8,11-14H2,1-4H3.
What are the key properties of 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine?
1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64862127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).