5-methyl-1-octyl-2-phenylpiperazine

C19H32N2 — CID 64845541

IUPAC5-methyl-1-octyl-2-phenylpiperazine
SMILESCCCCCCCCN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-4-5-6-7-11-14-21-16-17(2)20-15-19(21)18-12-9-8-10-13-18/h8-10,12-13,17,19-20H,3-7,11,14-16H2,1-2H3
InChIKeySPKVZVQTAGSBJO-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.38
Rot. Bonds8

About 5-methyl-1-octyl-2-phenylpiperazine

5-methyl-1-octyl-2-phenylpiperazine (PubChem CID 64845541) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-methyl-1-octyl-2-phenylpiperazine.

Molecular Properties

Compound Name5-methyl-1-octyl-2-phenylpiperazine
PubChem CID64845541
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-methyl-1-octyl-2-phenylpiperazine
SMILESCCCCCCCCN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-4-5-6-7-11-14-21-16-17(2)20-15-19(21)18-12-9-8-10-13-18/h8-10,12-13,17,19-20H,3-7,11,14-16H2,1-2H3
InChIKeySPKVZVQTAGSBJO-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine
CID 64938924
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine
CID 107901428
1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
CID 114188917
5-cyclopropyl-2-phenyl-1-propylpiperazine
CID 64860711
5-ethyl-1-(4-methylpentyl)-2-phenylpiperazine
CID 64940985
5-ethyl-1-hex-5-ynyl-2-phenylpiperazine
CID 106211749
N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine
CID 64934814
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-octyl-2-phenylpiperazine?
The IUPAC name of 5-methyl-1-octyl-2-phenylpiperazine (CID 64845541) is 5-methyl-1-octyl-2-phenylpiperazine.
What is the SMILES notation for 5-methyl-1-octyl-2-phenylpiperazine?
The canonical SMILES for 5-methyl-1-octyl-2-phenylpiperazine is CCCCCCCCN1CC(C)NCC1c1ccccc1.
What is the InChIKey of 5-methyl-1-octyl-2-phenylpiperazine?
The InChIKey is SPKVZVQTAGSBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-4-5-6-7-11-14-21-16-17(2)20-15-19(21)18-12-9-8-10-13-18/h8-10,12-13,17,19-20H,3-7,11,14-16H2,1-2H3.
What are the key properties of 5-methyl-1-octyl-2-phenylpiperazine?
5-methyl-1-octyl-2-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-octyl-2-phenylpiperazine is sourced from PubChem (CID 64845541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).