5-ethyl-1-hex-5-ynyl-2-phenylpiperazine

C18H26N2 — CID 106211749

IUPAC5-ethyl-1-hex-5-ynyl-2-phenylpiperazine
SMILESC#CCCCCN1CC(CC)NCC1c1ccccc1
InChIInChI=1S/C18H26N2/c1-3-5-6-10-13-20-15-17(4-2)19-14-18(20)16-11-8-7-9-12-16/h1,7-9,11-12,17-19H,4-6,10,13-15H2,2H3
InChIKeySEUNIBSTBRSBCP-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.21
Rot. Bonds6

About 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine

5-ethyl-1-hex-5-ynyl-2-phenylpiperazine (PubChem CID 106211749) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-hex-5-ynyl-2-phenylpiperazine
PubChem CID106211749
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name5-ethyl-1-hex-5-ynyl-2-phenylpiperazine
SMILESC#CCCCCN1CC(CC)NCC1c1ccccc1
InChIInChI=1S/C18H26N2/c1-3-5-6-10-13-20-15-17(4-2)19-14-18(20)16-11-8-7-9-12-16/h1,7-9,11-12,17-19H,4-6,10,13-15H2,2H3
InChIKeySEUNIBSTBRSBCP-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-(4-methylpentyl)-2-phenylpiperazine
CID 64940985
1-benzyl-5-ethyl-2-phenylpiperazine
CID 64841572
1-(cyclobutylmethyl)-5-ethyl-2-phenylpiperazine
CID 64935193
N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine
CID 64934814
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine
CID 64841963
3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 64946738
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
5-ethyl-2-phenyl-1-propan-2-ylpiperazine
CID 64843317
1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine
CID 64935672
5-ethyl-2-phenyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine
CID 79361327

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine?
The IUPAC name of 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine (CID 106211749) is 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine.
What is the SMILES notation for 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine?
The canonical SMILES for 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine is C#CCCCCN1CC(CC)NCC1c1ccccc1.
What is the InChIKey of 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine?
The InChIKey is SEUNIBSTBRSBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-5-6-10-13-20-15-17(4-2)19-14-18(20)16-11-8-7-9-12-16/h1,7-9,11-12,17-19H,4-6,10,13-15H2,2H3.
What are the key properties of 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine?
5-ethyl-1-hex-5-ynyl-2-phenylpiperazine has a molecular weight of 270.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-hex-5-ynyl-2-phenylpiperazine is sourced from PubChem (CID 106211749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).