(2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine

C9H16N2 — CID 174973107

IUPAC(2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine
SMILESC[C@H]1CNCCN1C1C=CC1
InChIInChI=1S/C9H16N2/c1-8-7-10-5-6-11(8)9-3-2-4-9/h2-3,8-10H,4-7H2,1H3/t8-,9?/m0/s1
InChIKeyUVMVLMPIGYQDTA-IENPIDJESA-N
MW152.24 g/mol
LogP0.61
Rot. Bonds1

About (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine

(2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine (PubChem CID 174973107) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine
PubChem CID174973107
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine
SMILESC[C@H]1CNCCN1C1C=CC1
InChIInChI=1S/C9H16N2/c1-8-7-10-5-6-11(8)9-3-2-4-9/h2-3,8-10H,4-7H2,1H3/t8-,9?/m0/s1
InChIKeyUVMVLMPIGYQDTA-IENPIDJESA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine
CID 174972324
(2R)-1-cyclopentyl-2-methylpiperazine
CID 79002573
1-fluoro-2-methylpiperazine
CID 142193617
1-iodo-2-methylpiperazine
CID 154534640
2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride
CID 165469299
1-cyclohexyl-2-methylpiperazine;dihydrochloride
CID 53399295
(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride
CID 130763014
(2S)-2-methyl-1-(3-methylcyclopentyl)piperazine;hydrochloride
CID 131203778
1-(2,4-dimethylcyclohexyl)-2-methylpiperazine
CID 64932132
(2R)-2-methyl-1-(thiolan-3-yl)piperazine
CID 130780057
4-(2-methylpiperazin-1-yl)oxan-3-ol
CID 165476258
1,2-dimethylpiperazine;hydrate
CID 173257182

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine?
The IUPAC name of (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine (CID 174973107) is (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine.
What is the SMILES notation for (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine?
The canonical SMILES for (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine is C[C@H]1CNCCN1C1C=CC1.
What is the InChIKey of (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine?
The InChIKey is UVMVLMPIGYQDTA-IENPIDJESA-N. The full InChI is InChI=1S/C9H16N2/c1-8-7-10-5-6-11(8)9-3-2-4-9/h2-3,8-10H,4-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine?
(2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine has a molecular weight of 152.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine is sourced from PubChem (CID 174973107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).