3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine

C10H20N2 — CID 63872197

IUPAC3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CC(C)NC(C)C1
InChIInChI=1S/C10H20N2/c1-8(2)5-12-6-9(3)11-10(4)7-12/h9-11H,1,5-7H2,2-4H3
InChIKeyUNXPECYXZJJGKC-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds2

About 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine

3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine (PubChem CID 63872197) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine
PubChem CID63872197
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CC(C)NC(C)C1
InChIInChI=1S/C10H20N2/c1-8(2)5-12-6-9(3)11-10(4)7-12/h9-11H,1,5-7H2,2-4H3
InChIKeyUNXPECYXZJJGKC-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.24
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

1-Allyl-2,5-dimethylpiperazine
CID 4135660
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
N-allyl-3-methylpiperazine
CID 23447962
(3S)-1-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4,6-trienyl]-3-methylpiperazine
CID 142262364
N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070422
N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070425
1-(2-Methylallyl)piperazine
CID 1073878
(2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 10011916
1-(3-Methyl-but-2-enyl)-piperazine
CID 10441904
1-(2,3-Dimethylbut-2-enyl)piperazine
CID 20521849

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine?
The IUPAC name of 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine (CID 63872197) is 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine?
The canonical SMILES for 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine is C=C(C)CN1CC(C)NC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine?
The InChIKey is UNXPECYXZJJGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)5-12-6-9(3)11-10(4)7-12/h9-11H,1,5-7H2,2-4H3.
What are the key properties of 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine?
3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine has a molecular weight of 168.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylprop-2-enyl)piperazine is sourced from PubChem (CID 63872197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).