5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine

C17H24N2 — CID 64933982

IUPAC5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(CC)(CC)NCC1c1ccccc1
InChIInChI=1S/C17H24N2/c1-4-12-19-14-17(5-2,6-3)18-13-16(19)15-10-8-7-9-11-15/h1,7-11,16,18H,5-6,12-14H2,2-3H3
InChIKeyQYMUGPSNOIVCKU-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.82
Rot. Bonds4

About 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine

5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine (PubChem CID 64933982) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine
PubChem CID64933982
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(CC)(CC)NCC1c1ccccc1
InChIInChI=1S/C17H24N2/c1-4-12-19-14-17(5-2,6-3)18-13-16(19)15-10-8-7-9-11-15/h1,7-11,16,18H,5-6,12-14H2,2-3H3
InChIKeyQYMUGPSNOIVCKU-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine
CID 64859679
2,5,5-triethyl-1-prop-2-ynylpiperazine
CID 64933788
5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine
CID 64931390
5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine
CID 66353730
9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64939513
5-ethyl-1,5-dimethyl-2-phenylpiperazine
CID 64849289
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250165
5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine
CID 106458707
5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
CID 64861186
1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64839744
1-cyclopentyl-5-ethyl-5-methyl-2-phenylpiperazine
CID 64932022

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine?
The IUPAC name of 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine (CID 64933982) is 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine.
What is the SMILES notation for 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine?
The canonical SMILES for 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine is C#CCN1CC(CC)(CC)NCC1c1ccccc1.
What is the InChIKey of 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine?
The InChIKey is QYMUGPSNOIVCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-12-19-14-17(5-2,6-3)18-13-16(19)15-10-8-7-9-11-15/h1,7-11,16,18H,5-6,12-14H2,2-3H3.
What are the key properties of 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine?
5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine has a molecular weight of 256.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine is sourced from PubChem (CID 64933982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).