2,5-dimethyl-1-prop-2-enylpiperazine

C9H18N2 — CID 4135660

IUPAC2,5-dimethyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C)NCC1C
InChIInChI=1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyVKUXNUOPPQWDMV-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.85
Rot. Bonds2

About 2,5-dimethyl-1-prop-2-enylpiperazine

2,5-dimethyl-1-prop-2-enylpiperazine (PubChem CID 4135660) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,5-dimethyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-prop-2-enylpiperazine
PubChem CID4135660
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,5-dimethyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C)NCC1C
InChIInChI=1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyVKUXNUOPPQWDMV-UHFFFAOYSA-N
XLogP0.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.85
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-Allylpiperazine
CID 806422
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
1-(3-Diallylaminopropyl)piperazine
CID 2735926
(+/-)-trans-1-Allyl-2,5-dimethylpiperaz
CID 89312366
2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
N-allyl-3-methylpiperazine
CID 23447962
(3S)-1-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4,6-trienyl]-3-methylpiperazine
CID 142262364
2-(4-Prop-2-enylpiperazin-1-yl)ethanamine
CID 4742418
1-Propan-2-yl-4-prop-2-enylpiperazine
CID 20613816
1-Pentan-3-yl-4-prop-2-enylpiperazine
CID 20735227

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-prop-2-enylpiperazine?
The IUPAC name of 2,5-dimethyl-1-prop-2-enylpiperazine (CID 4135660) is 2,5-dimethyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 2,5-dimethyl-1-prop-2-enylpiperazine?
The canonical SMILES for 2,5-dimethyl-1-prop-2-enylpiperazine is C=CCN1CC(C)NCC1C.
What is the InChIKey of 2,5-dimethyl-1-prop-2-enylpiperazine?
The InChIKey is VKUXNUOPPQWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 2,5-dimethyl-1-prop-2-enylpiperazine?
2,5-dimethyl-1-prop-2-enylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 4135660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).