1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine

C11H20N2 — CID 130727541

IUPAC1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine
SMILESC#CCN1CC(C)N(CC)CC1C
InChIInChI=1S/C11H20N2/c1-5-7-13-9-10(3)12(6-2)8-11(13)4/h1,10-11H,6-9H2,2-4H3
InChIKeyZGLUPWMWQLWQRJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.03
Rot. Bonds2

About 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine

1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine (PubChem CID 130727541) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine
PubChem CID130727541
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine
SMILESC#CCN1CC(C)N(CC)CC1C
InChIInChI=1S/C11H20N2/c1-5-7-13-9-10(3)12(6-2)8-11(13)4/h1,10-11H,6-9H2,2-4H3
InChIKeyZGLUPWMWQLWQRJ-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-1-ethyl-4-[(E)-4-[(2S,5S)-4-ethyl-2,5-dimethylpiperazin-1-yl]but-2-enyl]-2,5-dimethylpiperazine
CID 124731738
(2S,5S)-2,5-dimethyl-1-prop-2-ynylpiperidin-4-one
CID 6355719
(2R)-2-methyl-1-prop-2-ynylpyrrolidine
CID 142046543
2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937731
2,6-dimethyl-1-prop-2-ynylpiperazine
CID 63911212
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
(2S,4S,5S)-4-diethoxyphosphoryl-2,5-dimethyl-1-prop-2-ynylpiperidin-4-ol
CID 29111881
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411
(2R)-4-cyclobutyl-1-ethyl-2-methylpiperazine
CID 145118975
(3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile
CID 118178666
3-tert-butyl-1-ethyl-2,4-dimethylimidazolidine
CID 151626328

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine?
The IUPAC name of 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine (CID 130727541) is 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine?
The canonical SMILES for 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine is C#CCN1CC(C)N(CC)CC1C.
What is the InChIKey of 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine?
The InChIKey is ZGLUPWMWQLWQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-13-9-10(3)12(6-2)8-11(13)4/h1,10-11H,6-9H2,2-4H3.
What are the key properties of 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine?
1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine has a molecular weight of 180.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine is sourced from PubChem (CID 130727541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).