1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine

C18H26N2 — CID 106211786

IUPAC1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine
SMILESC#CCCCCN1CC(C)(c2ccccc2)NCC1C
InChIInChI=1S/C18H26N2/c1-4-5-6-10-13-20-15-18(3,19-14-16(20)2)17-11-8-7-9-12-17/h1,7-9,11-12,16,19H,5-6,10,13-15H2,2-3H3
InChIKeyTUKBJMAPROHGKT-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.00
Rot. Bonds5

About 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine

1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine (PubChem CID 106211786) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine
PubChem CID106211786
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine
SMILESC#CCCCCN1CC(C)(c2ccccc2)NCC1C
InChIInChI=1S/C18H26N2/c1-4-5-6-10-13-20-15-18(3,19-14-16(20)2)17-11-8-7-9-12-17/h1,7-9,11-12,16,19H,5-6,10,13-15H2,2-3H3
InChIKeyTUKBJMAPROHGKT-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.00
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

1-(2-methoxyethyl)-2,5-dimethyl-5-phenylpiperazine
CID 64861931
1-(2,2-dimethylpropyl)-2,5-dimethyl-5-phenylpiperazine
CID 64935365
2,5,5-trimethyl-1-pent-4-ynylpiperazine
CID 106221984
2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862285
2,5,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334930
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64940420
2-cyclopropyl-5-methyl-5-phenyl-1-propylpiperazine
CID 64860974
5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
CID 64861186
1-(3-methoxypropyl)-5-methyl-5-phenyl-2-propan-2-ylpiperazine
CID 64862127
5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine
CID 114334950
1-ethyl-5-methyl-5-phenyl-2-propylpiperazine
CID 64862477

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine?
The IUPAC name of 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine (CID 106211786) is 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine.
What is the SMILES notation for 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine?
The canonical SMILES for 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine is C#CCCCCN1CC(C)(c2ccccc2)NCC1C.
What is the InChIKey of 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine?
The InChIKey is TUKBJMAPROHGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-5-6-10-13-20-15-18(3,19-14-16(20)2)17-11-8-7-9-12-17/h1,7-9,11-12,16,19H,5-6,10,13-15H2,2-3H3.
What are the key properties of 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine?
1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine has a molecular weight of 270.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine is sourced from PubChem (CID 106211786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).