2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine

C13H24N2 — CID 64937920

IUPAC2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C13H24N2/c1-6-7-15-9-12(10(2)3)14-8-13(15)11(4)5/h1,10-14H,7-9H2,2-5H3
InChIKeyMHNCYTAMAVIQQM-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.57
Rot. Bonds3

About 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine

2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine (PubChem CID 64937920) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
PubChem CID64937920
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C13H24N2/c1-6-7-15-9-12(10(2)3)14-8-13(15)11(4)5/h1,10-14H,7-9H2,2-5H3
InChIKeyMHNCYTAMAVIQQM-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.57
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

2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937731
2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937339
1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine
CID 82249272
1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine
CID 106211794
(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine
CID 130735647
1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine
CID 64939157
1-(oxolan-2-ylmethyl)-2,5-di(propan-2-yl)piperazine
CID 64839224
1-(2-cyclopentyloxyethyl)-2,5-di(propan-2-yl)piperazine
CID 64938773
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
CID 106732887
2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432746
1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine?
The IUPAC name of 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine (CID 64937920) is 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine.
What is the SMILES notation for 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine?
The canonical SMILES for 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine is C#CCN1CC(C(C)C)NCC1C(C)C.
What is the InChIKey of 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine?
The InChIKey is MHNCYTAMAVIQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-7-15-9-12(10(2)3)14-8-13(15)11(4)5/h1,10-14H,7-9H2,2-5H3.
What are the key properties of 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine?
2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine is sourced from PubChem (CID 64937920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).